4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

C14H22N6O — CID 97158743

IUPAC4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCO[C@@H](CNc1cc(-n2cccn2)nc(N)n1)C(C)(C)C
InChIInChI=1S/C14H22N6O/c1-14(2,3)10(21-4)9-16-11-8-12(19-13(15)18-11)20-7-5-6-17-20/h5-8,10H,9H2,1-4H3,(H3,15,16,18,19)/t10-/m0/s1
InChIKeyIJRVANQARVXVFZ-JTQLQIEISA-N
MW290.37 g/mol
LogP1.72
Rot. Bonds5

About 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (PubChem CID 97158743) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
PubChem CID97158743
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCO[C@@H](CNc1cc(-n2cccn2)nc(N)n1)C(C)(C)C
InChIInChI=1S/C14H22N6O/c1-14(2,3)10(21-4)9-16-11-8-12(19-13(15)18-11)20-7-5-6-17-20/h5-8,10H,9H2,1-4H3,(H3,15,16,18,19)/t10-/m0/s1
InChIKeyIJRVANQARVXVFZ-JTQLQIEISA-N
XLogP1.72
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (CID 97158743) is 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is CO[C@@H](CNc1cc(-n2cccn2)nc(N)n1)C(C)(C)C.
What is the InChIKey of 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The InChIKey is IJRVANQARVXVFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2,3)10(21-4)9-16-11-8-12(19-13(15)18-11)20-7-5-6-17-20/h5-8,10H,9H2,1-4H3,(H3,15,16,18,19)/t10-/m0/s1.
What are the key properties of 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 97158743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).