2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H22N4O2 — CID 121330034

IUPAC2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1
InChIInChI=1S/C19H22N4O2/c1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19/h7-11,14-15H,3-6H2,1-2H3,(H,22,24)
InChIKeyZFAKOJLZBMYYSR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds3

About 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330034) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330034
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1
InChIInChI=1S/C19H22N4O2/c1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19/h7-11,14-15H,3-6H2,1-2H3,(H,22,24)
InChIKeyZFAKOJLZBMYYSR-UHFFFAOYSA-N
XLogP3.40
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

N-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330288
2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330289
2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330373
N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330202
2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330076
2,4-dimethyl-N-[(1S,4R)-4-pentoxycycloheptyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409098
2,4-dimethyl-N-[(1R,3S)-3-pentoxycyclopentyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330063
N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330118
N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330370
N-cyclohexyl-4-methyl-2-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2-methylpropan-1-ol
CID 145397701
2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318276
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146110440

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330034) is 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is ZFAKOJLZBMYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19/h7-11,14-15H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).