2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80940788

IUPAC2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCC(C)CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-11-17(21-15(5-2)20-16)19-12-14-8-6-13(3)7-9-14/h11,13-14H,4-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyMBKQTXGQWWOMBK-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.10
Rot. Bonds7

About 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80940788) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80940788
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCC(C)CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-11-17(21-15(5-2)20-16)19-12-14-8-6-13(3)7-9-14/h11,13-14H,4-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyMBKQTXGQWWOMBK-UHFFFAOYSA-N
XLogP4.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414820
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80940788) is 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCC(C)CC2)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MBKQTXGQWWOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-10-18-16-11-17(21-15(5-2)20-16)19-12-14-8-6-13(3)7-9-14/h11,13-14H,4-10,12H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).