6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine

C16H29N5 — CID 80941631

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C16H29N5/c1-5-6-14-18-15(17-2)11-16(19-14)21-9-7-13(8-10-21)12-20(3)4/h11,13H,5-10,12H2,1-4H3,(H,17,18,19)
InChIKeySDXNTPNJGGPEBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.25
Rot. Bonds6

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80941631) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80941631
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C16H29N5/c1-5-6-14-18-15(17-2)11-16(19-14)21-9-7-13(8-10-21)12-20(3)4/h11,13H,5-10,12H2,1-4H3,(H,17,18,19)
InChIKeySDXNTPNJGGPEBC-UHFFFAOYSA-N
XLogP2.25
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80944351
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950038
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
CID 80945932
[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80943836
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80950597
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine (CID 80941631) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(N2CCC(CN(C)C)CC2)n1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is SDXNTPNJGGPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-6-14-18-15(17-2)11-16(19-14)21-9-7-13(8-10-21)12-20(3)4/h11,13H,5-10,12H2,1-4H3,(H,17,18,19).
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80941631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).