4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine

C11H13N5 — CID 79918373

IUPAC4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncncc2N)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16)
InChIKeyMQXXCMRKJJWTCM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.37
Rot. Bonds3

About 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine

4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine (PubChem CID 79918373) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
PubChem CID79918373
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncncc2N)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16)
InChIKeyMQXXCMRKJJWTCM-UHFFFAOYSA-N
XLogP1.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine (CID 79918373) is 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine is Cc1ccc(CNc2ncncc2N)cn1.
What is the InChIKey of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is MQXXCMRKJJWTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16).
What are the key properties of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 79918373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).