3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

C17H25N5O — CID 91772095

IUPAC3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCCCc1nc(C)cc(NC(c2cnn(C)c2)C2CC(O)C2)n1
InChIInChI=1S/C17H25N5O/c1-4-5-15-19-11(2)6-16(20-15)21-17(12-7-14(23)8-12)13-9-18-22(3)10-13/h6,9-10,12,14,17,23H,4-5,7-8H2,1-3H3,(H,19,20,21)
InChIKeyBKWGRVGMXYXFBM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds6

About 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 91772095) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID91772095
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCCCc1nc(C)cc(NC(c2cnn(C)c2)C2CC(O)C2)n1
InChIInChI=1S/C17H25N5O/c1-4-5-15-19-11(2)6-16(20-15)21-17(12-7-14(23)8-12)13-9-18-22(3)10-13/h6,9-10,12,14,17,23H,4-5,7-8H2,1-3H3,(H,19,20,21)
InChIKeyBKWGRVGMXYXFBM-UHFFFAOYSA-N
XLogP2.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (CID 91772095) is 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is CCCc1nc(C)cc(NC(c2cnn(C)c2)C2CC(O)C2)n1.
What is the InChIKey of 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is BKWGRVGMXYXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-5-15-19-11(2)6-16(20-15)21-17(12-7-14(23)8-12)13-9-18-22(3)10-13/h6,9-10,12,14,17,23H,4-5,7-8H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methyl-2-propylpyrimidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 91772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).