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

C16H23N5O — CID 91778387

IUPAC3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)[nH]n1
InChIInChI=1S/C16H23N5O/c1-3-4-12-7-13(20-19-12)9-21(2)16-8-15(17-10-18-16)11-5-14(22)6-11/h7-8,10-11,14,22H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyMNAVNUBGRKGAAR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds6

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

3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91778387) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91778387
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)[nH]n1
InChIInChI=1S/C16H23N5O/c1-3-4-12-7-13(20-19-12)9-21(2)16-8-15(17-10-18-16)11-5-14(22)6-11/h7-8,10-11,14,22H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyMNAVNUBGRKGAAR-UHFFFAOYSA-N
XLogP2.03
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91778387) is 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is CCCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)[nH]n1.
What is the InChIKey of 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MNAVNUBGRKGAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-4-12-7-13(20-19-12)9-21(2)16-8-15(17-10-18-16)11-5-14(22)6-11/h7-8,10-11,14,22H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91778387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).