N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C17H18N4O3 — CID 133112462

IUPACN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H18N4O3/c1-10-14(21-9-3-8-18-17(21)20-10)16(24)19-11(2)15(23)12-4-6-13(22)7-5-12/h3-9,11,15,22-23H,1-2H3,(H,19,24)/t11-,15-/m0/s1
InChIKeyLZXBNFKYCLRVEF-NHYWBVRUSA-N
MW326.36 g/mol
LogP1.60
Rot. Bonds4

About N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 133112462) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID133112462
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H18N4O3/c1-10-14(21-9-3-8-18-17(21)20-10)16(24)19-11(2)15(23)12-4-6-13(22)7-5-12/h3-9,11,15,22-23H,1-2H3,(H,19,24)/t11-,15-/m0/s1
InChIKeyLZXBNFKYCLRVEF-NHYWBVRUSA-N
XLogP1.60
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 133112462) is N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LZXBNFKYCLRVEF-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-14(21-9-3-8-18-17(21)20-10)16(24)19-11(2)15(23)12-4-6-13(22)7-5-12/h3-9,11,15,22-23H,1-2H3,(H,19,24)/t11-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 133112462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).