N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide

C16H26N4O4 — CID 101226892

IUPACN-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
SMILESCCCn1c(=O)c(NC(=O)C2CCCC2)c(N)n(CCCO)c1=O
InChIInChI=1S/C16H26N4O4/c1-2-8-20-15(23)12(18-14(22)11-6-3-4-7-11)13(17)19(16(20)24)9-5-10-21/h11,21H,2-10,17H2,1H3,(H,18,22)
InChIKeyXXONGWZFFPOALC-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.51
Rot. Bonds7

About N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide

N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide (PubChem CID 101226892) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
PubChem CID101226892
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
SMILESCCCn1c(=O)c(NC(=O)C2CCCC2)c(N)n(CCCO)c1=O
InChIInChI=1S/C16H26N4O4/c1-2-8-20-15(23)12(18-14(22)11-6-3-4-7-11)13(17)19(16(20)24)9-5-10-21/h11,21H,2-10,17H2,1H3,(H,18,22)
InChIKeyXXONGWZFFPOALC-UHFFFAOYSA-N
XLogP0.51
TPSA119.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide (CID 101226892) is N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide is CCCn1c(=O)c(NC(=O)C2CCCC2)c(N)n(CCCO)c1=O.
What is the InChIKey of N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide?
The InChIKey is XXONGWZFFPOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-2-8-20-15(23)12(18-14(22)11-6-3-4-7-11)13(17)19(16(20)24)9-5-10-21/h11,21H,2-10,17H2,1H3,(H,18,22).
What are the key properties of N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide?
N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 101226892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).