4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine

C12H20N4 — CID 80839809

IUPAC4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(C)CC2CC2)n1
InChIInChI=1S/C12H20N4/c1-8-7-14-12(13-3)16-11(8)15-9(2)6-10-4-5-10/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyNFWGFHIQXYNECZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.43
Rot. Bonds5

About 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80839809) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80839809
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(C)CC2CC2)n1
InChIInChI=1S/C12H20N4/c1-8-7-14-12(13-3)16-11(8)15-9(2)6-10-4-5-10/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyNFWGFHIQXYNECZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80839809) is 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(NC(C)CC2CC2)n1.
What is the InChIKey of 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is NFWGFHIQXYNECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-7-14-12(13-3)16-11(8)15-9(2)6-10-4-5-10/h7,9-10H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80839809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).