N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide

C23H29N5O3 — CID 153321103

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C23H29N5O3/c29-22(24-15-17-6-7-17)19-14-21(27-8-11-30-12-9-27)26-23(25-19)28-10-13-31-20(16-28)18-4-2-1-3-5-18/h1-5,14,17,20H,6-13,15-16H2,(H,24,29)
InChIKeyRNGRMTWNAKLFHY-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.03
Rot. Bonds6

About N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide (PubChem CID 153321103) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide
PubChem CID153321103
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C23H29N5O3/c29-22(24-15-17-6-7-17)19-14-21(27-8-11-30-12-9-27)26-23(25-19)28-10-13-31-20(16-28)18-4-2-1-3-5-18/h1-5,14,17,20H,6-13,15-16H2,(H,24,29)
InChIKeyRNGRMTWNAKLFHY-UHFFFAOYSA-N
XLogP2.03
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide (CID 153321103) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCOC(c3ccccc3)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is RNGRMTWNAKLFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-22(24-15-17-6-7-17)19-14-21(27-8-11-30-12-9-27)26-23(25-19)28-10-13-31-20(16-28)18-4-2-1-3-5-18/h1-5,14,17,20H,6-13,15-16H2,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 153321103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).