6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C17H30N4 — CID 106644116

IUPAC6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CCCNC1)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-5-9-21(12-15-7-6-8-18-11-15)16-10-14(4)19-17(20-16)13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeyGHIGABDIBZAKQJ-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.12
Rot. Bonds6

About 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 106644116) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID106644116
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CCCNC1)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-5-9-21(12-15-7-6-8-18-11-15)16-10-14(4)19-17(20-16)13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeyGHIGABDIBZAKQJ-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
N,6-diethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643375
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106644080
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 66183116
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
CID 106644246
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
N-(piperidin-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106644149

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 106644116) is 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCN(CC1CCCNC1)c1cc(C)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is GHIGABDIBZAKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-9-21(12-15-7-6-8-18-11-15)16-10-14(4)19-17(20-16)13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3.
What are the key properties of 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106644116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).