5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine

C10H12N6 — CID 67199120

IUPAC5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(N)nc1
InChIInChI=1S/C10H12N6/c1-5-8(9(12)16-10(13)15-5)6-2-3-7(11)14-4-6/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16)
InChIKeyXTQJAAKVPLOYBD-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.59
Rot. Bonds1

About 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine

5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 67199120) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine
PubChem CID67199120
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(N)nc1
InChIInChI=1S/C10H12N6/c1-5-8(9(12)16-10(13)15-5)6-2-3-7(11)14-4-6/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16)
InChIKeyXTQJAAKVPLOYBD-UHFFFAOYSA-N
XLogP0.59
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine (CID 67199120) is 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1ccc(N)nc1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is XTQJAAKVPLOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-5-8(9(12)16-10(13)15-5)6-2-3-7(11)14-4-6/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16).
What are the key properties of 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine?
5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 67199120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).