6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C15H21N5 — CID 114957948

IUPAC6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cnccc2C)c1C(C)C
InChIInChI=1S/C15H21N5/c1-10(2)13-14(16-4)19-9-20-15(13)18-8-12-7-17-6-5-11(12)3/h5-7,9-10H,8H2,1-4H3,(H2,16,18,19,20)
InChIKeyYNDUAHPXOCXHBU-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.96
Rot. Bonds5

About 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 114957948) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID114957948
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cnccc2C)c1C(C)C
InChIInChI=1S/C15H21N5/c1-10(2)13-14(16-4)19-9-20-15(13)18-8-12-7-17-6-5-11(12)3/h5-7,9-10H,8H2,1-4H3,(H2,16,18,19,20)
InChIKeyYNDUAHPXOCXHBU-UHFFFAOYSA-N
XLogP2.96
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041067
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 114954606
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957898
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
CID 114954524
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80848891
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 114957948) is 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCc2cnccc2C)c1C(C)C.
What is the InChIKey of 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YNDUAHPXOCXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10(2)13-14(16-4)19-9-20-15(13)18-8-12-7-17-6-5-11(12)3/h5-7,9-10H,8H2,1-4H3,(H2,16,18,19,20).
What are the key properties of 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 114957948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).