2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine

C11H15N5 — CID 154393128

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCc1cccc(CC2(N)N=C(N)C=CN2)n1
InChIInChI=1S/C11H15N5/c1-8-3-2-4-9(15-8)7-11(13)14-6-5-10(12)16-11/h2-6,14H,7,13H2,1H3,(H2,12,16)
InChIKeyWFHTVGMXJQNSFR-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.02
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine

2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154393128) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine
PubChem CID154393128
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCc1cccc(CC2(N)N=C(N)C=CN2)n1
InChIInChI=1S/C11H15N5/c1-8-3-2-4-9(15-8)7-11(13)14-6-5-10(12)16-11/h2-6,14H,7,13H2,1H3,(H2,12,16)
InChIKeyWFHTVGMXJQNSFR-UHFFFAOYSA-N
XLogP0.02
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine (CID 154393128) is 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine is Cc1cccc(CC2(N)N=C(N)C=CN2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is WFHTVGMXJQNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-3-2-4-9(15-8)7-11(13)14-6-5-10(12)16-11/h2-6,14H,7,13H2,1H3,(H2,12,16).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine?
2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 217.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154393128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).