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

C23H30N6O2 — CID 147661083

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C23H30N6O2/c30-22(25-15-17-6-7-17)19-14-21(28-10-12-31-13-11-28)27-23(26-19)29-9-8-24-20(16-29)18-4-2-1-3-5-18/h1-5,14,17,20,24H,6-13,15-16H2,(H,25,30)
InChIKeyGLJHHGREOZFOFB-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.60
Rot. Bonds6

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

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 147661083) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID147661083
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C23H30N6O2/c30-22(25-15-17-6-7-17)19-14-21(28-10-12-31-13-11-28)27-23(26-19)29-9-8-24-20(16-29)18-4-2-1-3-5-18/h1-5,14,17,20,24H,6-13,15-16H2,(H,25,30)
InChIKeyGLJHHGREOZFOFB-UHFFFAOYSA-N
XLogP1.60
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 147661083) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is GLJHHGREOZFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c30-22(25-15-17-6-7-17)19-14-21(28-10-12-31-13-11-28)27-23(26-19)29-9-8-24-20(16-29)18-4-2-1-3-5-18/h1-5,14,17,20,24H,6-13,15-16H2,(H,25,30).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 147661083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).