6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine

C18H25N7O — CID 176963190

IUPAC6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1cc(N2CCNCC2)ncn1)c1cc(OC(C)(C)C)ncc1N
InChIInChI=1S/C18H25N7O/c1-18(2,3)26-16-8-12(13(19)10-22-16)17(20)14-9-15(24-11-23-14)25-6-4-21-5-7-25/h8-11,20-21H,4-7,19H2,1-3H3/b20-17-
InChIKeySNAKJBQVIQPMFE-JZJYNLBNSA-N
MW355.45 g/mol
LogP1.46
Rot. Bonds4

About 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine

6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine (PubChem CID 176963190) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine
PubChem CID176963190
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1cc(N2CCNCC2)ncn1)c1cc(OC(C)(C)C)ncc1N
InChIInChI=1S/C18H25N7O/c1-18(2,3)26-16-8-12(13(19)10-22-16)17(20)14-9-15(24-11-23-14)25-6-4-21-5-7-25/h8-11,20-21H,4-7,19H2,1-3H3/b20-17-
InChIKeySNAKJBQVIQPMFE-JZJYNLBNSA-N
XLogP1.46
TPSA113.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139566251
4-[6-(1-oxo-1,4-thiazepan-4-yl)pyrimidine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
CID 144795318
4-amino-3-[6-(4-methylpiperazin-1-yl)pyrimidine-4-carboximidoyl]phenol
CID 137229950
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
2-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]benzene-1,4-diamine
CID 130372384
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one
CID 144697097
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
4-(1-methylcyclopropyl)oxy-2-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]aniline
CID 123709189
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
4-[(1-methylcyclopropyl)methyl]-2-(6-piperidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 130414243

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine (CID 176963190) is 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine is [H]/N=C(\c1cc(N2CCNCC2)ncn1)c1cc(OC(C)(C)C)ncc1N.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine?
The InChIKey is SNAKJBQVIQPMFE-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H25N7O/c1-18(2,3)26-16-8-12(13(19)10-22-16)17(20)14-9-15(24-11-23-14)25-6-4-21-5-7-25/h8-11,20-21H,4-7,19H2,1-3H3/b20-17-.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine?
6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine has a molecular weight of 355.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine is sourced from PubChem (CID 176963190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).