4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine

C19H29N5 — CID 142228432

IUPAC4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1
InChIInChI=1S/C19H29N5/c1-20-14-8-7-9-15(13-12-14)21-19-22-17-11-6-4-5-10-16(17)18(23-19)24(2)3/h4-5,10-11,14-15,20H,6-9,12-13H2,1-3H3,(H,21,22)/t14-,15?/m1/s1
InChIKeyGBYOUYBAOBZLIM-GICMACPYSA-N
MW327.48 g/mol
LogP1.40
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142228432) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142228432
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1
InChIInChI=1S/C19H29N5/c1-20-14-8-7-9-15(13-12-14)21-19-22-17-11-6-4-5-10-16(17)18(23-19)24(2)3/h4-5,10-11,14-15,20H,6-9,12-13H2,1-3H3,(H,21,22)/t14-,15?/m1/s1
InChIKeyGBYOUYBAOBZLIM-GICMACPYSA-N
XLogP1.40
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-ethyl-1-[5-[7-[(5Z,6Z)-5-ethylidenenona-6,8-dienyl]-2-[hexyl(methyl)amino]-4H-1,3-diazepin-4-yl]cyclohepta-1,4,6-trien-1-yl]guanidine
CID 143612992
N-[[[(3Z)-1-cycloheptyl-6-methylidene-3-[(methylideneamino)methylidene]-2-pyridinylidene]amino]methyl]-1-methylsulfanylpiperidin-4-amine
CID 173941239
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228194
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230577
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230604
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230849
4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230886
2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142231142

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142228432) is 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine is CN[C@@H]1CCCC(Nc2nc(N(C)C)c3c(n2)=CCC=CC=3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is GBYOUYBAOBZLIM-GICMACPYSA-N. The full InChI is InChI=1S/C19H29N5/c1-20-14-8-7-9-15(13-12-14)21-19-22-17-11-6-4-5-10-16(17)18(23-19)24(2)3/h4-5,10-11,14-15,20H,6-9,12-13H2,1-3H3,(H,21,22)/t14-,15?/m1/s1.
What are the key properties of 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 327.48 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142228432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).