[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol

C17H25N3O — CID 122095709

IUPAC[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol
SMILESCN1CCCN=C1NCC1(CO)CC(c2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-20-9-5-8-18-16(20)19-12-17(13-21)10-15(11-17)14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3,(H,18,19)
InChIKeyHYNUGPBBGRRHTO-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds4

About [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol

[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol (PubChem CID 122095709) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol
PubChem CID122095709
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol
SMILESCN1CCCN=C1NCC1(CO)CC(c2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-20-9-5-8-18-16(20)19-12-17(13-21)10-15(11-17)14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3,(H,18,19)
InChIKeyHYNUGPBBGRRHTO-UHFFFAOYSA-N
XLogP1.82
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The IUPAC name of [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol (CID 122095709) is [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol.
What is the SMILES notation for [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The canonical SMILES for [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol is CN1CCCN=C1NCC1(CO)CC(c2ccccc2)C1.
What is the InChIKey of [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The InChIKey is HYNUGPBBGRRHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-9-5-8-18-16(20)19-12-17(13-21)10-15(11-17)14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3,(H,18,19).
What are the key properties of [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol has a molecular weight of 287.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol is sourced from PubChem (CID 122095709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).