(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

C12H17N3O4 — CID 54600419

IUPAC(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)NC(C)(C)CO
InChIInChI=1S/C12H17N3O4/c1-7-8(10(18)14-11(19)13-7)4-5-9(17)15-12(2,3)6-16/h4-5,16H,6H2,1-3H3,(H,15,17)(H2,13,14,18,19)/b5-4-
InChIKeyRDOXEPCIIOQMQN-PLNGDYQASA-N
MW267.28 g/mol
LogP-0.73
Rot. Bonds4

About (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 54600419) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID54600419
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)NC(C)(C)CO
InChIInChI=1S/C12H17N3O4/c1-7-8(10(18)14-11(19)13-7)4-5-9(17)15-12(2,3)6-16/h4-5,16H,6H2,1-3H3,(H,15,17)(H2,13,14,18,19)/b5-4-
InChIKeyRDOXEPCIIOQMQN-PLNGDYQASA-N
XLogP-0.73
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 54600419) is (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide is Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)NC(C)(C)CO.
What is the InChIKey of (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The InChIKey is RDOXEPCIIOQMQN-PLNGDYQASA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-8(10(18)14-11(19)13-7)4-5-9(17)15-12(2,3)6-16/h4-5,16H,6H2,1-3H3,(H,15,17)(H2,13,14,18,19)/b5-4-.
What are the key properties of (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
(Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide has a molecular weight of 267.28 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 54600419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).