4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide

C12H17N5O2 — CID 83105794

IUPAC4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1nccc(N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N5O2/c13-12-14-4-3-10(16-12)17-5-6-19-7-9(17)11(18)15-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,15,18)(H2,13,14,16)
InChIKeyHBRLMEZWZSFYNJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.46
Rot. Bonds3

About 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide

4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83105794) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83105794
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1nccc(N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N5O2/c13-12-14-4-3-10(16-12)17-5-6-19-7-9(17)11(18)15-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,15,18)(H2,13,14,16)
InChIKeyHBRLMEZWZSFYNJ-UHFFFAOYSA-N
XLogP-0.46
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[4-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
N-cyclopropyl-4-(6-hydrazinylpyrazin-2-yl)morpholine-3-carboxamide
CID 83105115
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 103518401
4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83104855
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide (CID 83105794) is 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide is Nc1nccc(N2CCOCC2C(=O)NC2CC2)n1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is HBRLMEZWZSFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-12-14-4-3-10(16-12)17-5-6-19-7-9(17)11(18)15-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,15,18)(H2,13,14,16).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83105794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).