N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C20H26N6O2 — CID 155786444

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(-n3ccnc3)nc(C(=O)NC3CCC(C(C)(C)O)CC3)c2[nH]1
InChIInChI=1S/C20H26N6O2/c1-12-10-15-16(22-12)17(25-19(24-15)26-9-8-21-11-26)18(27)23-14-6-4-13(5-7-14)20(2,3)28/h8-11,13-14,22,28H,4-7H2,1-3H3,(H,23,27)
InChIKeyVKUQBCMQEZWUEF-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786444) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786444
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(-n3ccnc3)nc(C(=O)NC3CCC(C(C)(C)O)CC3)c2[nH]1
InChIInChI=1S/C20H26N6O2/c1-12-10-15-16(22-12)17(25-19(24-15)26-9-8-21-11-26)18(27)23-14-6-4-13(5-7-14)20(2,3)28/h8-11,13-14,22,28H,4-7H2,1-3H3,(H,23,27)
InChIKeyVKUQBCMQEZWUEF-UHFFFAOYSA-N
XLogP2.51
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786444) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is Cc1cc2nc(-n3ccnc3)nc(C(=O)NC3CCC(C(C)(C)O)CC3)c2[nH]1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is VKUQBCMQEZWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-10-15-16(22-12)17(25-19(24-15)26-9-8-21-11-26)18(27)23-14-6-4-13(5-7-14)20(2,3)28/h8-11,13-14,22,28H,4-7H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).