4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide

C13H21N5O2 — CID 83105110

IUPAC4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1cnc(N)nc1N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C13H21N5O2/c1-8(2)16-12(19)10-7-20-5-4-18(10)11-9(3)6-15-13(14)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,16,19)(H2,14,15,17)
InChIKeyBHGVVVQZHITHRR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.10
Rot. Bonds3

About 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide

4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83105110) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83105110
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1cnc(N)nc1N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C13H21N5O2/c1-8(2)16-12(19)10-7-20-5-4-18(10)11-9(3)6-15-13(14)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,16,19)(H2,14,15,17)
InChIKeyBHGVVVQZHITHRR-UHFFFAOYSA-N
XLogP0.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83104655
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
4-(6-hydrazinyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105801
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
CID 83101946

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83105110) is 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide is Cc1cnc(N)nc1N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is BHGVVVQZHITHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(2)16-12(19)10-7-20-5-4-18(10)11-9(3)6-15-13(14)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,16,19)(H2,14,15,17).
What are the key properties of 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).