4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine

C12H15N5 — CID 67036269

IUPAC4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N)nc(-c2ccccn2)n1
InChIInChI=1S/C12H15N5/c1-8(2)15-11-7-10(13)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H3,13,15,16,17)
InChIKeyAHDHCVGTBJOGOB-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.94
Rot. Bonds3

About 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine

4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 67036269) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID67036269
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N)nc(-c2ccccn2)n1
InChIInChI=1S/C12H15N5/c1-8(2)15-11-7-10(13)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H3,13,15,16,17)
InChIKeyAHDHCVGTBJOGOB-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine (CID 67036269) is 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(N)nc(-c2ccccn2)n1.
What is the InChIKey of 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is AHDHCVGTBJOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(2)15-11-7-10(13)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H3,13,15,16,17).
What are the key properties of 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine?
4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-2-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 67036269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).