4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C16H29N5 — CID 80791601

IUPAC4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCN(CC)CC2)c1C
InChIInChI=1S/C16H29N5/c1-4-8-17-15-13(3)16(20-12-19-15)18-11-14-6-9-21(5-2)10-7-14/h12,14H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyYZFGSXVCDUHASO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds7

About 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80791601) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80791601
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCN(CC)CC2)c1C
InChIInChI=1S/C16H29N5/c1-4-8-17-15-13(3)16(20-12-19-15)18-11-14-6-9-21(5-2)10-7-14/h12,14H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyYZFGSXVCDUHASO-UHFFFAOYSA-N
XLogP2.75
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515
5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 66340780
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
4-N-[(1-ethylpiperidin-4-yl)methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 78955385
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
2-ethyl-N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007566
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
N-[(4-ethylcyclohexyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80902835
5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80791601) is 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CCN(CC)CC2)c1C.
What is the InChIKey of 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YZFGSXVCDUHASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-8-17-15-13(3)16(20-12-19-15)18-11-14-6-9-21(5-2)10-7-14/h12,14H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80791601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).