4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine

C19H28N4 — CID 142230577

IUPAC4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
SMILESC[C@@H]1CCCC(NC2=NC3C=CC=CC=C3C(N(C)C)=N2)CC1
InChIInChI=1S/C19H28N4/c1-14-8-7-9-15(13-12-14)20-19-21-17-11-6-4-5-10-16(17)18(22-19)23(2)3/h4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3,(H,20,21)/t14-,15?,17?/m1/s1
InChIKeyKZIRHXXHOFULKW-HPUBIQBYSA-N
MW312.46 g/mol
LogP3.30
Rot. Bonds1

About 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230577) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230577
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
SMILESC[C@@H]1CCCC(NC2=NC3C=CC=CC=C3C(N(C)C)=N2)CC1
InChIInChI=1S/C19H28N4/c1-14-8-7-9-15(13-12-14)20-19-21-17-11-6-4-5-10-16(17)18(22-19)23(2)3/h4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3,(H,20,21)/t14-,15?,17?/m1/s1
InChIKeyKZIRHXXHOFULKW-HPUBIQBYSA-N
XLogP3.30
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-(1-cycloheptylethenylamino)-N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 141972576
3-amino-N-(3-aminopropyl)-N'-[[(4-octylcyclohex-2-en-1-yl)amino]methyl]propanimidamide
CID 173889752
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228194
4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228432
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
3-N-(cyclohexylmethyl)-5-N-methyl-2,4-diazabicyclo[5.5.0]dodeca-7,9,11-triene-3,5-diimine
CID 142228836
3-(Cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
CID 142229283
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
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-[(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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230577) is 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine is C[C@@H]1CCCC(NC2=NC3C=CC=CC=C3C(N(C)C)=N2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is KZIRHXXHOFULKW-HPUBIQBYSA-N. The full InChI is InChI=1S/C19H28N4/c1-14-8-7-9-15(13-12-14)20-19-21-17-11-6-4-5-10-16(17)18(22-19)23(2)3/h4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3,(H,20,21)/t14-,15?,17?/m1/s1.
What are the key properties of 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).