3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine

C16H29N3 — CID 55162008

IUPAC3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)nc(C(C)C)n1)C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-17-15(11(2)3)10-14-9-13(6)18-16(19-14)12(4)5/h9,11-12,15,17H,7-8,10H2,1-6H3
InChIKeyRDKYOUZZJNTGPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds7

About 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine

3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine (PubChem CID 55162008) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
PubChem CID55162008
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)nc(C(C)C)n1)C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-17-15(11(2)3)10-14-9-13(6)18-16(19-14)12(4)5/h9,11-12,15,17H,7-8,10H2,1-6H3
InChIKeyRDKYOUZZJNTGPF-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
CID 63202183
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
CID 63196625
N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 79267121
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 81137677
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
CID 116896489

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine (CID 55162008) is 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine is CCCNC(Cc1cc(C)nc(C(C)C)n1)C(C)C.
What is the InChIKey of 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine?
The InChIKey is RDKYOUZZJNTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-17-15(11(2)3)10-14-9-13(6)18-16(19-14)12(4)5/h9,11-12,15,17H,7-8,10H2,1-6H3.
What are the key properties of 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine?
3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 55162008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).