2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide

C28H36N6O2 — CID 11533245

IUPAC2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)NC(Cc2ccccc2)CN2CCOCC2)c(NCC2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36N6O2/c29-17-25-30-19-24(26(33-25)31-18-22-6-8-28(9-7-22)10-11-28)27(35)32-23(16-21-4-2-1-3-5-21)20-34-12-14-36-15-13-34/h1-5,19,22-23H,6-16,18,20H2,(H,32,35)(H,30,31,33)
InChIKeyQFAVNQJGKYTFCX-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.40
Rot. Bonds9

About 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide

2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 11533245) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID11533245
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)NC(Cc2ccccc2)CN2CCOCC2)c(NCC2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36N6O2/c29-17-25-30-19-24(26(33-25)31-18-22-6-8-28(9-7-22)10-11-28)27(35)32-23(16-21-4-2-1-3-5-21)20-34-12-14-36-15-13-34/h1-5,19,22-23H,6-16,18,20H2,(H,32,35)(H,30,31,33)
InChIKeyQFAVNQJGKYTFCX-UHFFFAOYSA-N
XLogP3.40
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
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CID 97255982
N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 96515929
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
2,2-dimethyl-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]azetidine-1-carboxamide
CID 97220199
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119883213
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide (CID 11533245) is 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide is N#Cc1ncc(C(=O)NC(Cc2ccccc2)CN2CCOCC2)c(NCC2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is QFAVNQJGKYTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c29-17-25-30-19-24(26(33-25)31-18-22-6-8-28(9-7-22)10-11-28)27(35)32-23(16-21-4-2-1-3-5-21)20-34-12-14-36-15-13-34/h1-5,19,22-23H,6-16,18,20H2,(H,32,35)(H,30,31,33).
What are the key properties of 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 11533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).