N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C18H19N5O2 — CID 91780244

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C18H19N5O2/c1-11-16(23-8-4-7-20-18(23)21-11)17(25)22-15(12-9-13(24)10-12)14-5-2-3-6-19-14/h2-8,12-13,15,24H,9-10H2,1H3,(H,22,25)
InChIKeyUHELVNLBIUECCC-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.67
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91780244) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID91780244
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C18H19N5O2/c1-11-16(23-8-4-7-20-18(23)21-11)17(25)22-15(12-9-13(24)10-12)14-5-2-3-6-19-14/h2-8,12-13,15,24H,9-10H2,1H3,(H,22,25)
InChIKeyUHELVNLBIUECCC-UHFFFAOYSA-N
XLogP1.67
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 91780244) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UHELVNLBIUECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-16(23-8-4-7-20-18(23)21-11)17(25)22-15(12-9-13(24)10-12)14-5-2-3-6-19-14/h2-8,12-13,15,24H,9-10H2,1H3,(H,22,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91780244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).