2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

C14H20N6 — CID 102807808

IUPAC2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2cn(C)nc2C)c1C
InChIInChI=1S/C14H20N6/c1-8-12(15-3)17-14(10-5-6-10)18-13(8)16-11-7-20(4)19-9(11)2/h7,10H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyPCVWGUNLQSCVIE-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 102807808) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID102807808
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(Nc2cn(C)nc2C)c1C
InChIInChI=1S/C14H20N6/c1-8-12(15-3)17-14(10-5-6-10)18-13(8)16-11-7-20(4)19-9(11)2/h7,10H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyPCVWGUNLQSCVIE-UHFFFAOYSA-N
XLogP2.49
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 102807808) is 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(Nc2cn(C)nc2C)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is PCVWGUNLQSCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-8-12(15-3)17-14(10-5-6-10)18-13(8)16-11-7-20(4)19-9(11)2/h7,10H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 102807808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).