N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide

C14H20N4O3 — CID 110132997

IUPACN-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2)C[C@H]1O
InChIInChI=1S/C14H20N4O3/c1-8(2)13-15-4-10(5-16-13)14(21)18-6-11(12(20)7-18)17-9(3)19/h4-5,8,11-12,20H,6-7H2,1-3H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyDTYCYQPJKOIAHI-VXGBXAGGSA-N
MW292.34 g/mol
LogP-0.08
Rot. Bonds3

About N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 110132997) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID110132997
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2)C[C@H]1O
InChIInChI=1S/C14H20N4O3/c1-8(2)13-15-4-10(5-16-13)14(21)18-6-11(12(20)7-18)17-9(3)19/h4-5,8,11-12,20H,6-7H2,1-3H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyDTYCYQPJKOIAHI-VXGBXAGGSA-N
XLogP-0.08
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide (CID 110132997) is N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is DTYCYQPJKOIAHI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8(2)13-15-4-10(5-16-13)14(21)18-6-11(12(20)7-18)17-9(3)19/h4-5,8,11-12,20H,6-7H2,1-3H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).