3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C15H21N5O — CID 91780188

IUPAC3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCn1cc(CNc2cc(C3CC(O)C3)ncn2)cn1
InChIInChI=1S/C15H21N5O/c1-2-3-20-9-11(8-19-20)7-16-15-6-14(17-10-18-15)12-4-13(21)5-12/h6,8-10,12-13,21H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyJMWJCPYFDZFYRN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.93
Rot. Bonds6

About 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91780188) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91780188
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCn1cc(CNc2cc(C3CC(O)C3)ncn2)cn1
InChIInChI=1S/C15H21N5O/c1-2-3-20-9-11(8-19-20)7-16-15-6-14(17-10-18-15)12-4-13(21)5-12/h6,8-10,12-13,21H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyJMWJCPYFDZFYRN-UHFFFAOYSA-N
XLogP1.93
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91780188) is 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CCCn1cc(CNc2cc(C3CC(O)C3)ncn2)cn1.
What is the InChIKey of 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JMWJCPYFDZFYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-3-20-9-11(8-19-20)7-16-15-6-14(17-10-18-15)12-4-13(21)5-12/h6,8-10,12-13,21H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91780188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).