4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C16H29N5 — CID 114506472

IUPAC4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)10-16(20-14)18-13-8-9-21(4)11-12(13)3/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyLXVUIBPZDPAJMO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.61
Rot. Bonds6

About 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 114506472) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID114506472
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)10-16(20-14)18-13-8-9-21(4)11-12(13)3/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyLXVUIBPZDPAJMO-UHFFFAOYSA-N
XLogP2.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
6-N-ethyl-4-N-(2-ethylcyclopropyl)-2-propylpyrimidine-4,6-diamine
CID 114110083
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
2-cyclopropyl-N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 114506697
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716
6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933549
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176
6-hydrazinyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80947154
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 114506472) is 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NC2CCN(C)CC2C)n1.
What is the InChIKey of 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is LXVUIBPZDPAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)10-16(20-14)18-13-8-9-21(4)11-12(13)3/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114506472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).