4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol

C19H26N4O2 — CID 11393729

IUPAC4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cc3c(NC4CCCCC4)ncnc3cn2)CC1
InChIInChI=1S/C19H26N4O2/c24-14-6-8-15(9-7-14)25-18-10-16-17(11-20-18)21-12-22-19(16)23-13-4-2-1-3-5-13/h10-15,24H,1-9H2,(H,21,22,23)
InChIKeyQAKUGUXUUXSQFE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.45
Rot. Bonds4

About 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol

4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol (PubChem CID 11393729) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol
PubChem CID11393729
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cc3c(NC4CCCCC4)ncnc3cn2)CC1
InChIInChI=1S/C19H26N4O2/c24-14-6-8-15(9-7-14)25-18-10-16-17(11-20-18)21-12-22-19(16)23-13-4-2-1-3-5-13/h10-15,24H,1-9H2,(H,21,22,23)
InChIKeyQAKUGUXUUXSQFE-UHFFFAOYSA-N
XLogP3.45
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol (CID 11393729) is 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol is OC1CCC(Oc2cc3c(NC4CCCCC4)ncnc3cn2)CC1.
What is the InChIKey of 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol?
The InChIKey is QAKUGUXUUXSQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-14-6-8-15(9-7-14)25-18-10-16-17(11-20-18)21-12-22-19(16)23-13-4-2-1-3-5-13/h10-15,24H,1-9H2,(H,21,22,23).
What are the key properties of 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol?
4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol has a molecular weight of 342.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 11393729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).