N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide

C12H19N5O3 — CID 68562002

IUPACN-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(N2CCOCC2)nc1C(=O)NCCO
InChIInChI=1S/C12H19N5O3/c1-13-9-8-15-12(17-3-6-20-7-4-17)16-10(9)11(19)14-2-5-18/h8,13,18H,2-7H2,1H3,(H,14,19)
InChIKeyUUUBSZIFICEUON-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.92
Rot. Bonds5

About N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 68562002) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID68562002
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(N2CCOCC2)nc1C(=O)NCCO
InChIInChI=1S/C12H19N5O3/c1-13-9-8-15-12(17-3-6-20-7-4-17)16-10(9)11(19)14-2-5-18/h8,13,18H,2-7H2,1H3,(H,14,19)
InChIKeyUUUBSZIFICEUON-UHFFFAOYSA-N
XLogP-0.92
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 68562002) is N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide is CNc1cnc(N2CCOCC2)nc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is UUUBSZIFICEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-13-9-8-15-12(17-3-6-20-7-4-17)16-10(9)11(19)14-2-5-18/h8,13,18H,2-7H2,1H3,(H,14,19).
What are the key properties of N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68562002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).