4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol

C18H21N7O — CID 171853450

IUPAC4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol
SMILESCN(C)CCNc1cncc(-c2cc(-c3ccnc(N)n3)ccc2O)n1
InChIInChI=1S/C18H21N7O/c1-25(2)8-7-21-17-11-20-10-15(23-17)13-9-12(3-4-16(13)26)14-5-6-22-18(19)24-14/h3-6,9-11,26H,7-8H2,1-2H3,(H,21,23)(H2,19,22,24)
InChIKeyFPBWSOUYNWEIIQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.86
Rot. Bonds6

About 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol

4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol (PubChem CID 171853450) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol
PubChem CID171853450
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol
SMILESCN(C)CCNc1cncc(-c2cc(-c3ccnc(N)n3)ccc2O)n1
InChIInChI=1S/C18H21N7O/c1-25(2)8-7-21-17-11-20-10-15(23-17)13-9-12(3-4-16(13)26)14-5-6-22-18(19)24-14/h3-6,9-11,26H,7-8H2,1-2H3,(H,21,23)(H2,19,22,24)
InChIKeyFPBWSOUYNWEIIQ-UHFFFAOYSA-N
XLogP1.86
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine
CID 90656761
2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
CID 135482277
N-[6-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 123700537
N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 156904312
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
6-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 133447093
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 155526334
2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
CID 142680327
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate
CID 139686414
N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 94271829

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol (CID 171853450) is 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol is CN(C)CCNc1cncc(-c2cc(-c3ccnc(N)n3)ccc2O)n1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol?
The InChIKey is FPBWSOUYNWEIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-25(2)8-7-21-17-11-20-10-15(23-17)13-9-12(3-4-16(13)26)14-5-6-22-18(19)24-14/h3-6,9-11,26H,7-8H2,1-2H3,(H,21,23)(H2,19,22,24).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol?
4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol is sourced from PubChem (CID 171853450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).