1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine

C25H30N6 — CID 155911308

IUPAC1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
SMILESCCCN1CCCC2(CCc3c(NCc4cccnc4)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C25H30N6/c1-2-13-31-14-5-9-25(18-31)10-8-21-22(25)29-23(20-7-4-12-27-17-20)30-24(21)28-16-19-6-3-11-26-15-19/h3-4,6-7,11-12,15,17H,2,5,8-10,13-14,16,18H2,1H3,(H,28,29,30)
InChIKeyVVYIXGYAXHLVNU-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.24
Rot. Bonds6

About 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine

1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine (PubChem CID 155911308) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
PubChem CID155911308
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
SMILESCCCN1CCCC2(CCc3c(NCc4cccnc4)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C25H30N6/c1-2-13-31-14-5-9-25(18-31)10-8-21-22(25)29-23(20-7-4-12-27-17-20)30-24(21)28-16-19-6-3-11-26-15-19/h3-4,6-7,11-12,15,17H,2,5,8-10,13-14,16,18H2,1H3,(H,28,29,30)
InChIKeyVVYIXGYAXHLVNU-UHFFFAOYSA-N
XLogP4.24
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 156584249
2-[[1'-(3-methylbut-2-enyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]ethanol
CID 154822123
2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
CID 155910925
1-[4-[(3-methyloxetan-3-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155912828
1'-butyl-N-(3-imidazol-1-ylpropyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
CID 155909741
2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
CID 155912435
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
CID 171844280
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
CID 155913178
4-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenol
CID 166225658
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009

Frequently Asked Questions

What is the IUPAC name of 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine?
The IUPAC name of 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine (CID 155911308) is 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine.
What is the SMILES notation for 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine?
The canonical SMILES for 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine is CCCN1CCCC2(CCc3c(NCc4cccnc4)nc(-c4cccnc4)nc32)C1.
What is the InChIKey of 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine?
The InChIKey is VVYIXGYAXHLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-2-13-31-14-5-9-25(18-31)10-8-21-22(25)29-23(20-7-4-12-27-17-20)30-24(21)28-16-19-6-3-11-26-15-19/h3-4,6-7,11-12,15,17H,2,5,8-10,13-14,16,18H2,1H3,(H,28,29,30).
What are the key properties of 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine?
1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine has a molecular weight of 414.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine is sourced from PubChem (CID 155911308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).