4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one

C19H20N8O — CID 144697097

IUPAC4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one
SMILES[H]/N=C(\c1cc(N2CCNC(=O)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1N
InChIInChI=1S/C19H20N8O/c1-26-9-13(8-25-26)12-2-3-15(20)14(6-12)19(21)16-7-17(24-11-23-16)27-5-4-22-18(28)10-27/h2-3,6-9,11,21H,4-5,10,20H2,1H3,(H,22,28)/b21-19-
InChIKeyHWAYMVPVLCALJC-VZCXRCSSSA-N
MW376.42 g/mol
LogP0.81
Rot. Bonds4

About 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one

4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 144697097) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one
PubChem CID144697097
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one
SMILES[H]/N=C(\c1cc(N2CCNC(=O)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1N
InChIInChI=1S/C19H20N8O/c1-26-9-13(8-25-26)12-2-3-15(20)14(6-12)19(21)16-7-17(24-11-23-16)27-5-4-22-18(28)10-27/h2-3,6-9,11,21H,4-5,10,20H2,1H3,(H,22,28)/b21-19-
InChIKeyHWAYMVPVLCALJC-VZCXRCSSSA-N
XLogP0.81
TPSA125.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[6-(4-methylpiperazin-1-yl)pyrimidine-4-carboximidoyl]phenol
CID 137229950
methanol;2-[6-(4-methylsulfanylpiperazin-1-yl)pyrimidine-4-carboximidoyl]-4-pyridin-3-ylaniline
CID 144697138
4-[4-amino-3-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)phenyl]benzonitrile
CID 123478180
2-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]benzene-1,4-diamine
CID 130372384
3-[4-amino-3-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)phenyl]benzonitrile
CID 144694587
8-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decan-2-one
CID 123391746
9-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 123903473
4-(1-methylcyclopropyl)oxy-2-[6-(3-methylidene-4-propylpiperazin-1-yl)pyrimidine-4-carboximidoyl]aniline
CID 130414224
2-[6-[4-(2-fluoroethyl)-3-methylidenepiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414527
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
[4-fluoro-1-[6-[3-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 123236169
6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine
CID 176963190

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one (CID 144697097) is 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one is [H]/N=C(\c1cc(N2CCNC(=O)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1N.
What is the InChIKey of 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is HWAYMVPVLCALJC-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20N8O/c1-26-9-13(8-25-26)12-2-3-15(20)14(6-12)19(21)16-7-17(24-11-23-16)27-5-4-22-18(28)10-27/h2-3,6-9,11,21H,4-5,10,20H2,1H3,(H,22,28)/b21-19-.
What are the key properties of 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one?
4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 376.42 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 144697097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).