4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C19H24N8O — CID 163280858

IUPAC4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cnc(Nc3cnn(C)c3)nc2Oc2cccc(N)c2)CC1
InChIInChI=1S/C19H24N8O/c1-25-6-8-27(9-7-25)17-12-21-19(23-15-11-22-26(2)13-15)24-18(17)28-16-5-3-4-14(20)10-16/h3-5,10-13H,6-9,20H2,1-2H3,(H,21,23,24)
InChIKeyDJDMTDOJUDUZAT-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.08
Rot. Bonds5

About 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 163280858) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID163280858
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cnc(Nc3cnn(C)c3)nc2Oc2cccc(N)c2)CC1
InChIInChI=1S/C19H24N8O/c1-25-6-8-27(9-7-25)17-12-21-19(23-15-11-22-26(2)13-15)24-18(17)28-16-5-3-4-14(20)10-16/h3-5,10-13H,6-9,20H2,1-2H3,(H,21,23,24)
InChIKeyDJDMTDOJUDUZAT-UHFFFAOYSA-N
XLogP2.08
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenoxy)-5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 141326176
[3-[3-[2-[(1-methylpyrazol-4-yl)amino]-5-morpholin-4-ylpyrimidin-4-yl]oxyanilino]-3-oxoprop-1-en-2-yl] 2,2,2-trifluoroacetate
CID 155757287
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate
CID 175582724
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 163280588
4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 146216301
N-[3-[5-chloro-2-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]propanamide
CID 164615213
4-(3-aminophenoxy)-7-(12,12-dimethyltridecoxymethyl)-N-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 151995639
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide
CID 122673631
[3-[3-[[2-[(1-methylpyrazol-4-yl)amino]-5-morpholin-4-ylpyrimidin-4-yl]oxymethyl]anilino]-3-oxoprop-1-en-2-yl] 2,2,2-trifluoroacetate
CID 155757244

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 163280858) is 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CN1CCN(c2cnc(Nc3cnn(C)c3)nc2Oc2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is DJDMTDOJUDUZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-25-6-8-27(9-7-25)17-12-21-19(23-15-11-22-26(2)13-15)24-18(17)28-16-5-3-4-14(20)10-16/h3-5,10-13H,6-9,20H2,1-2H3,(H,21,23,24).
What are the key properties of 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 163280858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).