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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Related Compounds

3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91790891
3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780154
N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
CID 72843204
3-[6-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769908
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777911
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788433
3-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91782471
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424

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).