N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C16H21N5O3 — CID 109344416

IUPACN-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C16H21N5O3/c22-16(18-11-13-2-1-7-24-13)14-10-15(20-12-19-14)17-3-4-21-5-8-23-9-6-21/h1-2,7,10,12H,3-6,8-9,11H2,(H,18,22)(H,17,19,20)
InChIKeyJFXBXGYACUSUCF-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.74
Rot. Bonds7

About N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109344416) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109344416
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C16H21N5O3/c22-16(18-11-13-2-1-7-24-13)14-10-15(20-12-19-14)17-3-4-21-5-8-23-9-6-21/h1-2,7,10,12H,3-6,8-9,11H2,(H,18,22)(H,17,19,20)
InChIKeyJFXBXGYACUSUCF-UHFFFAOYSA-N
XLogP0.74
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-2-ylmethylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207450
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109344416) is N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is JFXBXGYACUSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-16(18-11-13-2-1-7-24-13)14-10-15(20-12-19-14)17-3-4-21-5-8-23-9-6-21/h1-2,7,10,12H,3-6,8-9,11H2,(H,18,22)(H,17,19,20).
What are the key properties of N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).