4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine

C21H32N4 — CID 142228194

IUPAC4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NCC2CCCCCC2)nc2c1=CC=CCC=2
InChIInChI=1S/C21H32N4/c1-21(2,3)25-19-17-13-9-6-10-14-18(17)23-20(24-19)22-15-16-11-7-4-5-8-12-16/h6,9,13-14,16H,4-5,7-8,10-12,15H2,1-3H3,(H2,22,23,24,25)
InChIKeyDXZZOJZCVDSFCX-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.59
Rot. Bonds4

About 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142228194) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142228194
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NCC2CCCCCC2)nc2c1=CC=CCC=2
InChIInChI=1S/C21H32N4/c1-21(2,3)25-19-17-13-9-6-10-14-18(17)23-20(24-19)22-15-16-11-7-4-5-8-12-16/h6,9,13-14,16H,4-5,7-8,10-12,15H2,1-3H3,(H2,22,23,24,25)
InChIKeyDXZZOJZCVDSFCX-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(1-cycloheptylethenylamino)-N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 141972576
1-(2-aminocyclohexa-1,3-dien-1-yl)-N'-(2-cycloheptyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-yl)methanediamine
CID 157630318
4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228432
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-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142228194) is 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine is CC(C)(C)Nc1nc(NCC2CCCCCC2)nc2c1=CC=CCC=2.
What is the InChIKey of 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is DXZZOJZCVDSFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-21(2,3)25-19-17-13-9-6-10-14-18(17)23-20(24-19)22-15-16-11-7-4-5-8-12-16/h6,9,13-14,16H,4-5,7-8,10-12,15H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 340.52 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142228194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).