4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H20N4O — CID 114118400

IUPAC4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCC(OC)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-11(13-2)14-7-15-12(8)16-9-4-5-10(6-9)17-3/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyVTFGXXHDBCNDCC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds4

About 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 114118400) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID114118400
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCC(OC)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-11(13-2)14-7-15-12(8)16-9-4-5-10(6-9)17-3/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyVTFGXXHDBCNDCC-UHFFFAOYSA-N
XLogP1.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(3-methoxycyclopentyl)-5-methylpyrimidin-4-amine
CID 114118126
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 133399476
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 114118371
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
N-(3-methoxycyclopentyl)furo[3,2-c]pyridin-4-amine
CID 103082177

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 114118400) is 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(NC2CCC(OC)C2)c1C.
What is the InChIKey of 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is VTFGXXHDBCNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-11(13-2)14-7-15-12(8)16-9-4-5-10(6-9)17-3/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114118400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).