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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Related Compounds

Pemrametostat
CID 90241742
Epz015666
CID 90241673
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 145998143
(S)-4-(6-morpholino-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
CID 45485886
2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10871043
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(morpholin-4-ylmethyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 12001028
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
2-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)acetic acid
CID 25182923
[(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]phosphonic acid
CID 42629406
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431799
4-(benzhydrylamino)-2-(2-methoxyethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480939

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).