4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

C13H16ClN5O — CID 167021737

IUPAC4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(Cl)c2nc(NC3CCC(O)CC3)ncc12
InChIInChI=1S/C13H16ClN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeyUTKQDXXVLSXKEH-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.98
Rot. Bonds2

About 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 167021737) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID167021737
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(Cl)c2nc(NC3CCC(O)CC3)ncc12
InChIInChI=1S/C13H16ClN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeyUTKQDXXVLSXKEH-UHFFFAOYSA-N
XLogP1.98
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 167021876
(3S,4R)-1-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol
CID 165053558
2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 175705974
2-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]benzonitrile
CID 175787681
3-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
CID 175787688
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
5-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
CID 165021907
4-[[5-amino-8-(oxan-3-yl)pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carbaldehyde
CID 167021914
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
CID 66937023
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (CID 167021737) is 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is Nc1ncc(Cl)c2nc(NC3CCC(O)CC3)ncc12.
What is the InChIKey of 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is UTKQDXXVLSXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19).
What are the key properties of 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 293.76 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 167021737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).