2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

C19H27N7O2 — CID 139566251

IUPAC2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILES[H]/N=C(\c1cc(N2CCN(CCO)CC2)ncn1)c1cc(OC(C)C)ncc1N
InChIInChI=1S/C19H27N7O2/c1-13(2)28-18-9-14(15(20)11-22-18)19(21)16-10-17(24-12-23-16)26-5-3-25(4-6-26)7-8-27/h9-13,21,27H,3-8,20H2,1-2H3/b21-19-
InChIKeySZBUVTFEUGIZED-VZCXRCSSSA-N
MW385.47 g/mol
LogP0.77
Rot. Bonds7

About 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 139566251) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID139566251
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILES[H]/N=C(\c1cc(N2CCN(CCO)CC2)ncn1)c1cc(OC(C)C)ncc1N
InChIInChI=1S/C19H27N7O2/c1-13(2)28-18-9-14(15(20)11-22-18)19(21)16-10-17(24-12-23-16)26-5-3-25(4-6-26)7-8-27/h9-13,21,27H,3-8,20H2,1-2H3/b21-19-
InChIKeySZBUVTFEUGIZED-VZCXRCSSSA-N
XLogP0.77
TPSA124.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 139566251) is 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is [H]/N=C(\c1cc(N2CCN(CCO)CC2)ncn1)c1cc(OC(C)C)ncc1N.
What is the InChIKey of 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is SZBUVTFEUGIZED-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-13(2)28-18-9-14(15(20)11-22-18)19(21)16-10-17(24-12-23-16)26-5-3-25(4-6-26)7-8-27/h9-13,21,27H,3-8,20H2,1-2H3/b21-19-.
What are the key properties of 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 385.47 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 139566251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).