1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol

C15H16Cl2N4O2 — CID 18432499

IUPAC1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol
SMILESNc1ncc(Oc2ccc(Cl)cc2Cl)c(N2CCC(O)CC2)n1
InChIInChI=1S/C15H16Cl2N4O2/c16-9-1-2-12(11(17)7-9)23-13-8-19-15(18)20-14(13)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2,(H2,18,19,20)
InChIKeyPLPSNFWUSFXAGS-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol

1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 18432499) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol
PubChem CID18432499
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol
SMILESNc1ncc(Oc2ccc(Cl)cc2Cl)c(N2CCC(O)CC2)n1
InChIInChI=1S/C15H16Cl2N4O2/c16-9-1-2-12(11(17)7-9)23-13-8-19-15(18)20-14(13)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2,(H2,18,19,20)
InChIKeyPLPSNFWUSFXAGS-UHFFFAOYSA-N
XLogP3.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol (CID 18432499) is 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol is Nc1ncc(Oc2ccc(Cl)cc2Cl)c(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is PLPSNFWUSFXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c16-9-1-2-12(11(17)7-9)23-13-8-19-15(18)20-14(13)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2,(H2,18,19,20).
What are the key properties of 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol?
1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 355.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,4-dichlorophenoxy)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 18432499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).