4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine

C20H32N4 — CID 142230604

IUPAC4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCCCC[C@H](C)CCCNc1nc(N(C)C)c2c(n1)=CCC=CC=2
InChIInChI=1S/C20H32N4/c1-5-6-11-16(2)12-10-15-21-20-22-18-14-9-7-8-13-17(18)19(23-20)24(3)4/h7-8,13-14,16H,5-6,9-12,15H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyFUAZUZHVMHHOEU-INIZCTEOSA-N
MW328.50 g/mol
LogP3.08
Rot. Bonds9

About 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230604) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230604
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCCCC[C@H](C)CCCNc1nc(N(C)C)c2c(n1)=CCC=CC=2
InChIInChI=1S/C20H32N4/c1-5-6-11-16(2)12-10-15-21-20-22-18-14-9-7-8-13-17(18)19(23-20)24(3)4/h7-8,13-14,16H,5-6,9-12,15H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyFUAZUZHVMHHOEU-INIZCTEOSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

(3E)-3-[(E)-6-butyl-7-[[(E)-2,3-dimethylpent-1-enyl]amino]-8-methyldec-7-en-3-ylidene]-N-prop-1-en-2-ylpyrrol-2-amine
CID 138511090
4-heptan-4-yl-2-(C-piperazin-1-yl-N-prop-1-en-2-ylcarbonimidoyl)cyclopenta-1,4-dien-1-amine
CID 166164453
1-(cyclohexa-1,5-dien-1-ylmethyl)-6-cyclohex-3-en-1-yl-4-[(2E,4Z)-6-[6-[4-(2,4-dimethylpenta-1,3-dien-3-yl)-3-ethylcyclohepta-1,3-dien-1-yl]-1,2-dihydropyridin-3-yl]hepta-2,4-dien-3-yl]-2H-1,3,5-triazine
CID 169851137
5-[(E)-3-(but-2-en-2-ylamino)prop-1-enyl]-2-methylidene-1-(3-prop-2-enylhept-6-en-2-yl)pyrimidin-4-amine
CID 174295301
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228194
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
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-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
N-[3-[[(Z)-but-2-enyl]-methylamino]but-3-enyl]-N'-[N'-(cyclohexylmethyl)-N-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]carbamimidoyl]-N-methylethanimidamide
CID 142229542
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
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230604) is 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine is CCCC[C@H](C)CCCNc1nc(N(C)C)c2c(n1)=CCC=CC=2.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is FUAZUZHVMHHOEU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4/c1-5-6-11-16(2)12-10-15-21-20-22-18-14-9-7-8-13-17(18)19(23-20)24(3)4/h7-8,13-14,16H,5-6,9-12,15H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 328.50 g/mol, XLogP of 3.08, 9 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-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).