4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine

C15H27N5 — CID 83118042

IUPAC4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C15H27N5/c1-5-16-14-18-12(2)10-13(19-14)17-11-15(20(3)4)8-6-7-9-15/h10H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyVNFUGSJUMZPSBE-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.50
Rot. Bonds6

About 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine

4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 83118042) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID83118042
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C15H27N5/c1-5-16-14-18-12(2)10-13(19-14)17-11-15(20(3)4)8-6-7-9-15/h10H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyVNFUGSJUMZPSBE-UHFFFAOYSA-N
XLogP2.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 83118042) is 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(NCC2(N(C)C)CCCC2)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is VNFUGSJUMZPSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-16-14-18-12(2)10-13(19-14)17-11-15(20(3)4)8-6-7-9-15/h10H,5-9,11H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 83118042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).