N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H29N3O2 — CID 121330202

IUPACN-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCC[C@@H](C)OC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C20H29N3O2/c1-5-15(4)25-17-8-6-16(7-9-17)22-20(24)18-10-11-23-14(3)12-13(2)21-19(18)23/h10-12,15-17H,5-9H2,1-4H3,(H,22,24)/t15-,16?,17?/m1/s1
InChIKeyZYOPIGREXWMRSV-KLAILNCOSA-N
MW343.47 g/mol
LogP3.81
Rot. Bonds5

About N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330202) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330202
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCC[C@@H](C)OC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C20H29N3O2/c1-5-15(4)25-17-8-6-16(7-9-17)22-20(24)18-10-11-23-14(3)12-13(2)21-19(18)23/h10-12,15-17H,5-9H2,1-4H3,(H,22,24)/t15-,16?,17?/m1/s1
InChIKeyZYOPIGREXWMRSV-KLAILNCOSA-N
XLogP3.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330202) is N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is CC[C@@H](C)OC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is ZYOPIGREXWMRSV-KLAILNCOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-15(4)25-17-8-6-16(7-9-17)22-20(24)18-10-11-23-14(3)12-13(2)21-19(18)23/h10-12,15-17H,5-9H2,1-4H3,(H,22,24)/t15-,16?,17?/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).