1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol

C8H16N2O — CID 70357711

IUPAC1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol
SMILESCCC(O)N1CCCN=C1C
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-9-7(10)2/h8,11H,3-6H2,1-2H3
InChIKeyNFUZKCAGXWQZKK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol

1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol (PubChem CID 70357711) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol
PubChem CID70357711
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol
SMILESCCC(O)N1CCCN=C1C
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-9-7(10)2/h8,11H,3-6H2,1-2H3
InChIKeyNFUZKCAGXWQZKK-UHFFFAOYSA-N
XLogP0.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol (CID 70357711) is 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol is CCC(O)N1CCCN=C1C.
What is the InChIKey of 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol?
The InChIKey is NFUZKCAGXWQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-9-7(10)2/h8,11H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol?
1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol is sourced from PubChem (CID 70357711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).