2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C16H26N4O2 — CID 126430425

IUPAC2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NC2CCCCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C16H26N4O2/c21-8-7-17-16-19-14(12-6-9-22-11-12)10-15(20-16)18-13-4-2-1-3-5-13/h10,12-13,21H,1-9,11H2,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyQHXOPLIVIIUBHQ-LBPRGKRZSA-N
MW306.41 g/mol
LogP2.13
Rot. Bonds6

About 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126430425) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126430425
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NC2CCCCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C16H26N4O2/c21-8-7-17-16-19-14(12-6-9-22-11-12)10-15(20-16)18-13-4-2-1-3-5-13/h10,12-13,21H,1-9,11H2,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyQHXOPLIVIIUBHQ-LBPRGKRZSA-N
XLogP2.13
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126430425) is 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1nc(NC2CCCCC2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is QHXOPLIVIIUBHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-8-7-17-16-19-14(12-6-9-22-11-12)10-15(20-16)18-13-4-2-1-3-5-13/h10,12-13,21H,1-9,11H2,(H2,17,18,19,20)/t12-/m0/s1.
What are the key properties of 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 306.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126430425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).