N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C16H18N4 — CID 142062426

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc3c1CNCC3)C2
InChIInChI=1S/C16H18N4/c1-2-4-12-8-13(7-11(12)3-1)20-16-14-9-17-6-5-15(14)18-10-19-16/h1-4,10,13,17H,5-9H2,(H,18,19,20)
InChIKeyYAZGMMXALDBINP-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.70
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 142062426) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID142062426
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc3c1CNCC3)C2
InChIInChI=1S/C16H18N4/c1-2-4-12-8-13(7-11(12)3-1)20-16-14-9-17-6-5-15(14)18-10-19-16/h1-4,10,13,17H,5-9H2,(H,18,19,20)
InChIKeyYAZGMMXALDBINP-UHFFFAOYSA-N
XLogP1.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56909048
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 59346476
N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144863
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
CID 80822032
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 44591865
N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101711
N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
CID 115144765
3-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-5-fluorophenol
CID 144832497
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043862

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 142062426) is N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is c1ccc2c(c1)CC(Nc1ncnc3c1CNCC3)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is YAZGMMXALDBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-4-12-8-13(7-11(12)3-1)20-16-14-9-17-6-5-15(14)18-10-19-16/h1-4,10,13,17H,5-9H2,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142062426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).