N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide

C14H22N4O2 — CID 124862599

IUPACN-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide
SMILESCC(C)[C@H](CN1CCOCC1)NC(=O)c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-11(2)12(10-18-6-8-20-9-7-18)17-14(19)13-15-4-3-5-16-13/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyNSPKWXWERSUTPA-LBPRGKRZSA-N
MW278.36 g/mol
LogP0.56
Rot. Bonds5

About N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide

N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide (PubChem CID 124862599) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide
PubChem CID124862599
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide
SMILESCC(C)[C@H](CN1CCOCC1)NC(=O)c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-11(2)12(10-18-6-8-20-9-7-18)17-14(19)13-15-4-3-5-16-13/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyNSPKWXWERSUTPA-LBPRGKRZSA-N
XLogP0.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide (CID 124862599) is N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide is CC(C)[C@H](CN1CCOCC1)NC(=O)c1ncccn1.
What is the InChIKey of N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide?
The InChIKey is NSPKWXWERSUTPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)12(10-18-6-8-20-9-7-18)17-14(19)13-15-4-3-5-16-13/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide?
N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 124862599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).