3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

C15H21N3O2 — CID 133490704

IUPAC3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(CCO)c2ccco2)nc(C(C)C)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)15-16-11(3)9-14(18-15)17-12(6-7-19)13-5-4-8-20-13/h4-5,8-10,12,19H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyOHEUYLQGMPMKBT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.04
Rot. Bonds6

About 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 133490704) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID133490704
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(CCO)c2ccco2)nc(C(C)C)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)15-16-11(3)9-14(18-15)17-12(6-7-19)13-5-4-8-20-13/h4-5,8-10,12,19H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyOHEUYLQGMPMKBT-UHFFFAOYSA-N
XLogP3.04
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile
CID 133493791
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
CID 133490796
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 133490846

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (CID 133490704) is 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is Cc1cc(NC(CCO)c2ccco2)nc(C(C)C)n1.
What is the InChIKey of 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is OHEUYLQGMPMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)15-16-11(3)9-14(18-15)17-12(6-7-19)13-5-4-8-20-13/h4-5,8-10,12,19H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133490704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).