6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine

C16H23N5 — CID 80985315

IUPAC6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccc(C)nc2)n1
InChIInChI=1S/C16H23N5/c1-5-6-14-20-15(17-4)12(3)16(21-14)19-10-13-8-7-11(2)18-9-13/h7-9H,5-6,10H2,1-4H3,(H2,17,19,20,21)
InChIKeyWQRVLMZPQAHXKK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds6

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

6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80985315) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80985315
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccc(C)nc2)n1
InChIInChI=1S/C16H23N5/c1-5-6-14-20-15(17-4)12(3)16(21-14)19-10-13-8-7-11(2)18-9-13/h7-9H,5-6,10H2,1-4H3,(H2,17,19,20,21)
InChIKeyWQRVLMZPQAHXKK-UHFFFAOYSA-N
XLogP3.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 81173364
6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106378740
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982111
2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
2-ethyl-6-N-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80934553
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80985315) is 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NCc2ccc(C)nc2)n1.
What is the InChIKey of 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is WQRVLMZPQAHXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-6-14-20-15(17-4)12(3)16(21-14)19-10-13-8-7-11(2)18-9-13/h7-9H,5-6,10H2,1-4H3,(H2,17,19,20,21).
What are the key properties of 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).