N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide

C16H23N5O3 — CID 110246686

IUPACN-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
SMILESCNc1ncc(C(=O)N2CCOC(C(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C16H23N5O3/c1-17-16-18-8-11(9-19-16)15(23)21-6-7-24-13(10-21)14(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyPENRBKYTTXWEGH-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.42
Rot. Bonds4

About N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide

N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide (PubChem CID 110246686) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
PubChem CID110246686
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
SMILESCNc1ncc(C(=O)N2CCOC(C(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C16H23N5O3/c1-17-16-18-8-11(9-19-16)15(23)21-6-7-24-13(10-21)14(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyPENRBKYTTXWEGH-UHFFFAOYSA-N
XLogP0.42
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide (CID 110246686) is N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide is CNc1ncc(C(=O)N2CCOC(C(=O)NC3CCCC3)C2)cn1.
What is the InChIKey of N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide?
The InChIKey is PENRBKYTTXWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-17-16-18-8-11(9-19-16)15(23)21-6-7-24-13(10-21)14(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)(H,17,18,19).
What are the key properties of N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide?
N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 110246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).