N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide

C12H18N4O2 — CID 141309481

IUPACN-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccncn1
InChIInChI=1S/C12H18N4O2/c17-12(11-2-4-13-10-15-11)14-3-1-5-16-6-8-18-9-7-16/h2,4,10H,1,3,5-9H2,(H,14,17)
InChIKeyVOQUICXIYZJTNL-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.07
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 141309481) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
PubChem CID141309481
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccncn1
InChIInChI=1S/C12H18N4O2/c17-12(11-2-4-13-10-15-11)14-3-1-5-16-6-8-18-9-7-16/h2,4,10H,1,3,5-9H2,(H,14,17)
InChIKeyVOQUICXIYZJTNL-UHFFFAOYSA-N
XLogP-0.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916
N-(2-morpholin-4-ylethyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 117080495
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide (CID 141309481) is N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide is O=C(NCCCN1CCOCC1)c1ccncn1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is VOQUICXIYZJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(11-2-4-13-10-15-11)14-3-1-5-16-6-8-18-9-7-16/h2,4,10H,1,3,5-9H2,(H,14,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 141309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).