6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine

C15H28N4 — CID 80657535

IUPAC6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(C)C(CC)CC)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-14-10-12(4)17-15(18-14)11-19(5)13(7-2)8-3/h10,13H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyPIXNNYSWESSAFI-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.23
Rot. Bonds8

About 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine

6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine (PubChem CID 80657535) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
PubChem CID80657535
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(C)C(CC)CC)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-14-10-12(4)17-15(18-14)11-19(5)13(7-2)8-3/h10,13H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyPIXNNYSWESSAFI-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-[[2-methoxyethyl(methyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657360
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654941
2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657938
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
CID 80658050
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine (CID 80657535) is 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN(C)C(CC)CC)n1.
What is the InChIKey of 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine?
The InChIKey is PIXNNYSWESSAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-14-10-12(4)17-15(18-14)11-19(5)13(7-2)8-3/h10,13H,6-9,11H2,1-5H3,(H,16,17,18).
What are the key properties of 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine?
6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80657535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).