N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine

C18H26N6 — CID 77096467

IUPACN-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C18H26N6/c1-15(2)22-18-20-11-17(12-21-18)14-24-8-6-23(7-9-24)13-16-4-3-5-19-10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3,(H,20,21,22)
InChIKeyFXOGZSAMFNZQLW-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.01
Rot. Bonds6

About N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine

N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 77096467) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
PubChem CID77096467
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C18H26N6/c1-15(2)22-18-20-11-17(12-21-18)14-24-8-6-23(7-9-24)13-16-4-3-5-19-10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3,(H,20,21,22)
InChIKeyFXOGZSAMFNZQLW-UHFFFAOYSA-N
XLogP2.01
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
CID 77092688
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
1-[(2R)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 95718209
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 77084809
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine (CID 77096467) is N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine is CC(C)Nc1ncc(CN2CCN(Cc3cccnc3)CC2)cn1.
What is the InChIKey of N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is FXOGZSAMFNZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-15(2)22-18-20-11-17(12-21-18)14-24-8-6-23(7-9-24)13-16-4-3-5-19-10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3,(H,20,21,22).
What are the key properties of N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine?
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77096467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).