4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C20H24N4O2 — CID 59743509

IUPAC4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOCc1cccc2c1ccn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H24N4O2/c1-26-13-14-3-2-4-18-17(14)10-12-24(18)19-9-11-21-20(23-19)22-15-5-7-16(25)8-6-15/h2-4,9-12,15-16,25H,5-8,13H2,1H3,(H,21,22,23)
InChIKeyPAWSEBFXAJUFLN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.28
Rot. Bonds5

About 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 59743509) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID59743509
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOCc1cccc2c1ccn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H24N4O2/c1-26-13-14-3-2-4-18-17(14)10-12-24(18)19-9-11-21-20(23-19)22-15-5-7-16(25)8-6-15/h2-4,9-12,15-16,25H,5-8,13H2,1H3,(H,21,22,23)
InChIKeyPAWSEBFXAJUFLN-UHFFFAOYSA-N
XLogP3.28
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 59743509) is 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is COCc1cccc2c1ccn2-c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is PAWSEBFXAJUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-13-14-3-2-4-18-17(14)10-12-24(18)19-9-11-21-20(23-19)22-15-5-7-16(25)8-6-15/h2-4,9-12,15-16,25H,5-8,13H2,1H3,(H,21,22,23).
What are the key properties of 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59743509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).