N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide

C24H31N5O2 — CID 150260357

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1
InChIInChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)
InChIKeyGBKQFYVKMQQNCN-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.84
Rot. Bonds6

About N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 150260357) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID150260357
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1
InChIInChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)
InChIKeyGBKQFYVKMQQNCN-UHFFFAOYSA-N
XLogP2.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 150260357) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is GBKQFYVKMQQNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 150260357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).