N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide

C19H26N4O2 — CID 171631065

IUPACN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc([C@H]2C[C@@H]2C)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H26N4O2/c1-12-9-15(12)16-20-10-14(11-21-16)17(24)22-13(2)18(25)23-7-5-19(3-4-19)6-8-23/h10-13,15H,3-9H2,1-2H3,(H,22,24)/t12-,13-,15-/m0/s1
InChIKeyLLUXONDIMJFDGQ-YDHLFZDLSA-N
MW342.44 g/mol
LogP2.12
Rot. Bonds4

About N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide (PubChem CID 171631065) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
PubChem CID171631065
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc([C@H]2C[C@@H]2C)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C19H26N4O2/c1-12-9-15(12)16-20-10-14(11-21-16)17(24)22-13(2)18(25)23-7-5-19(3-4-19)6-8-23/h10-13,15H,3-9H2,1-2H3,(H,22,24)/t12-,13-,15-/m0/s1
InChIKeyLLUXONDIMJFDGQ-YDHLFZDLSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide (CID 171631065) is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide is C[C@H](NC(=O)c1cnc([C@H]2C[C@@H]2C)nc1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is LLUXONDIMJFDGQ-YDHLFZDLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-9-15(12)16-20-10-14(11-21-16)17(24)22-13(2)18(25)23-7-5-19(3-4-19)6-8-23/h10-13,15H,3-9H2,1-2H3,(H,22,24)/t12-,13-,15-/m0/s1.
What are the key properties of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide?
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 171631065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).