6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H29N3 — CID 63486822

IUPAC6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCC(C)C)nc(C)c1C(C)C
InChIInChI=1S/C16H29N3/c1-7-10-17-16-15(12(4)5)13(6)18-14(19-16)9-8-11(2)3/h11-12H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyPHUURKAKDVIZNM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.32
Rot. Bonds7

About 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63486822) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63486822
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCC(C)C)nc(C)c1C(C)C
InChIInChI=1S/C16H29N3/c1-7-10-17-16-15(12(4)5)13(6)18-14(19-16)9-8-11(2)3/h11-12H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyPHUURKAKDVIZNM-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150345
6-methyl-5-propan-2-yl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62913276
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
[5,6-dimethyl-2-(3-methylbutyl)pyrimidin-4-yl]hydrazine
CID 62250159
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 62915666
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 63486822) is 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(CCC(C)C)nc(C)c1C(C)C.
What is the InChIKey of 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PHUURKAKDVIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-10-17-16-15(12(4)5)13(6)18-14(19-16)9-8-11(2)3/h11-12H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63486822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).