4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C14H22N6 — CID 106041067

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cnn(C)c2C)c1C(C)C
InChIInChI=1S/C14H22N6/c1-9(2)12-13(15-4)17-8-18-14(12)16-6-11-7-19-20(5)10(11)3/h7-9H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyUUWWWGMJYFTLHX-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.30
Rot. Bonds5

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 106041067) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID106041067
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cnn(C)c2C)c1C(C)C
InChIInChI=1S/C14H22N6/c1-9(2)12-13(15-4)17-8-18-14(12)16-6-11-7-19-20(5)10(11)3/h7-9H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyUUWWWGMJYFTLHX-UHFFFAOYSA-N
XLogP2.30
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 106041067) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCc2cnn(C)c2C)c1C(C)C.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UUWWWGMJYFTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-9(2)12-13(15-4)17-8-18-14(12)16-6-11-7-19-20(5)10(11)3/h7-9H,6H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106041067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).