4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H15N3O3 — CID 136975671

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-16-8-9(12-5-13-10(8)15)11-4-7(14)6-2-3-6/h5-7,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeySHDOTVNBIMDCIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.04
Rot. Bonds5

About 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975671) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975671
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-16-8-9(12-5-13-10(8)15)11-4-7(14)6-2-3-6/h5-7,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeySHDOTVNBIMDCIH-UHFFFAOYSA-N
XLogP-0.04
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136975671) is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC(O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SHDOTVNBIMDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-8-9(12-5-13-10(8)15)11-4-7(14)6-2-3-6/h5-7,14H,2-4H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).