2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine

C16H29N5 — CID 81464110

IUPAC2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C16H29N5/c1-6-7-17-15-8-13(3)18-16(19-15)11-21-9-12(2)14(10-21)20(4)5/h8,12,14H,6-7,9-11H2,1-5H3,(H,17,18,19)
InChIKeyBMKFPFHEBJWKFY-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.99
Rot. Bonds6

About 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 81464110) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID81464110
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C16H29N5/c1-6-7-17-15-8-13(3)18-16(19-15)11-21-9-12(2)14(10-21)20(4)5/h8,12,14H,6-7,9-11H2,1-5H3,(H,17,18,19)
InChIKeyBMKFPFHEBJWKFY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 80657743
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 81464110) is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN2CC(C)C(N(C)C)C2)n1.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is BMKFPFHEBJWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-7-17-15-8-13(3)18-16(19-15)11-21-9-12(2)14(10-21)20(4)5/h8,12,14H,6-7,9-11H2,1-5H3,(H,17,18,19).
What are the key properties of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 81464110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).