N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide

C24H33N5O2 — CID 148619984

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(C)N(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C24H33N5O2/c1-18(2)29(11-10-19-6-4-3-5-7-19)24-26-21(23(30)25-17-20-8-9-20)16-22(27-24)28-12-14-31-15-13-28/h3-7,16,18,20H,8-15,17H2,1-2H3,(H,25,30)
InChIKeyNGBTZIUKXZPBCG-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.91
Rot. Bonds9

About N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide (PubChem CID 148619984) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
PubChem CID148619984
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(C)N(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C24H33N5O2/c1-18(2)29(11-10-19-6-4-3-5-7-19)24-26-21(23(30)25-17-20-8-9-20)16-22(27-24)28-12-14-31-15-13-28/h3-7,16,18,20H,8-15,17H2,1-2H3,(H,25,30)
InChIKeyNGBTZIUKXZPBCG-UHFFFAOYSA-N
XLogP2.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.91
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-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide (CID 148619984) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide is CC(C)N(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is NGBTZIUKXZPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-18(2)29(11-10-19-6-4-3-5-7-19)24-26-21(23(30)25-17-20-8-9-20)16-22(27-24)28-12-14-31-15-13-28/h3-7,16,18,20H,8-15,17H2,1-2H3,(H,25,30).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.91, 9 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-[2-phenylethyl(propan-2-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 148619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).