N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

C11H17N3O4 — CID 54916721

IUPACN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7(2)14(4-3-5-15)10(17)8-6-12-11(18)13-9(8)16/h6-7,15H,3-5H2,1-2H3,(H2,12,13,16,18)
InChIKeyQISZXMQVAKAJMK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.70
Rot. Bonds5

About N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 54916721) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID54916721
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7(2)14(4-3-5-15)10(17)8-6-12-11(18)13-9(8)16/h6-7,15H,3-5H2,1-2H3,(H2,12,13,16,18)
InChIKeyQISZXMQVAKAJMK-UHFFFAOYSA-N
XLogP-0.70
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 54916721) is N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)N(CCCO)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is QISZXMQVAKAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)14(4-3-5-15)10(17)8-6-12-11(18)13-9(8)16/h6-7,15H,3-5H2,1-2H3,(H2,12,13,16,18).
What are the key properties of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 54916721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).