4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

C15H20N4 — CID 80762317

IUPAC4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2C(C)C)c1C
InChIInChI=1S/C15H20N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyQKVAGSYIKSPOCB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.54
Rot. Bonds3

About 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80762317) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80762317
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2C(C)C)c1C
InChIInChI=1S/C15H20N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyQKVAGSYIKSPOCB-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80762317) is 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc(N)c2C(C)C)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QKVAGSYIKSPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9(2)13-14(16)17-8-18-15(13)19-12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).