4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80994212

IUPAC4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-4-10-17-15-12(3)16(20-14(5-2)19-15)18-11-13-8-6-7-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyBRTIPWGJCCOANP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.77
Rot. Bonds7

About 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80994212) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80994212
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-4-10-17-15-12(3)16(20-14(5-2)19-15)18-11-13-8-6-7-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyBRTIPWGJCCOANP-UHFFFAOYSA-N
XLogP3.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106015127
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80985429

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80994212) is 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NCC2CCCC2)c1C.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BRTIPWGJCCOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-17-15-12(3)16(20-14(5-2)19-15)18-11-13-8-6-7-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).