4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine

C15H20N4 — CID 114701017

IUPAC4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCc2ccncc2C)n1
InChIInChI=1S/C15H20N4/c1-10(2)14-7-12(4)18-15(19-14)17-9-13-5-6-16-8-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyGPMHVVLJMGJMFB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine

4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 114701017) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID114701017
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCc2ccncc2C)n1
InChIInChI=1S/C15H20N4/c1-10(2)14-7-12(4)18-15(19-14)17-9-13-5-6-16-8-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyGPMHVVLJMGJMFB-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114700707
2-N,2-N-dimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133495534
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
6-hydrazinyl-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702345
4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 136557232
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine (CID 114701017) is 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine is Cc1cc(C(C)C)nc(NCc2ccncc2C)n1.
What is the InChIKey of 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is GPMHVVLJMGJMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10(2)14-7-12(4)18-15(19-14)17-9-13-5-6-16-8-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 114701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).