3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C14H19N5O — CID 91772858

IUPAC3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-9-3-11(18-17-9)7-19(2)14-6-13(15-8-16-14)10-4-12(20)5-10/h3,6,8,10,12,20H,4-5,7H2,1-2H3,(H,17,18)
InChIKeySGHZDDWWDKNEEA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds4

About 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91772858) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91772858
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-9-3-11(18-17-9)7-19(2)14-6-13(15-8-16-14)10-4-12(20)5-10/h3,6,8,10,12,20H,4-5,7H2,1-2H3,(H,17,18)
InChIKeySGHZDDWWDKNEEA-UHFFFAOYSA-N
XLogP1.38
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91772858) is 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)n[nH]1.
What is the InChIKey of 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is SGHZDDWWDKNEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-3-11(18-17-9)7-19(2)14-6-13(15-8-16-14)10-4-12(20)5-10/h3,6,8,10,12,20H,4-5,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).