N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

C18H19Cl2N5O — CID 89272526

IUPACN'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCC(C)Oc1cc(-c2nc(/N=C\N(C)C)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N5O/c1-10(2)26-15-7-11(12(19)8-13(15)20)16-17-14(5-6-21-17)23-18(24-16)22-9-25(3)4/h5-10,21H,1-4H3/b22-9-
InChIKeyCVXNABHXEAWDHW-AFPJDJCSSA-N
MW392.29 g/mol
LogP4.94
Rot. Bonds5

About N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 89272526) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID89272526
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC NameN'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCC(C)Oc1cc(-c2nc(/N=C\N(C)C)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N5O/c1-10(2)26-15-7-11(12(19)8-13(15)20)16-17-14(5-6-21-17)23-18(24-16)22-9-25(3)4/h5-10,21H,1-4H3/b22-9-
InChIKeyCVXNABHXEAWDHW-AFPJDJCSSA-N
XLogP4.94
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Dichloro-5-Methoxyphenyl)-2-Methyl-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 52940059
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(2,4-Dichlorophenyl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11654528
(2-(2-Methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11655271
(5-(2,4-Dichlorophenyl)-2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11697286
4-(2,4-Dichloro-5-methoxy-phenyl)-2-(2-diethylamino-ethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24875750
1-(3-(2-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438864
1-(3-(4-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438867
3-[2-chloro-4-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)phenoxy]benzonitrile
CID 56851432
N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851589
N-[3-chloro-4-(3-methylphenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851592
N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851594

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 89272526) is N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide is CC(C)Oc1cc(-c2nc(/N=C\N(C)C)nc3cc[nH]c23)c(Cl)cc1Cl.
What is the InChIKey of N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is CVXNABHXEAWDHW-AFPJDJCSSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-10(2)26-15-7-11(12(19)8-13(15)20)16-17-14(5-6-21-17)23-18(24-16)22-9-25(3)4/h5-10,21H,1-4H3/b22-9-.
What are the key properties of N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 392.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 89272526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).