[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol

C14H22FN3O — CID 133419984

IUPAC[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol
SMILESCCc1ncnc(N(C)C2CCC(CO)CC2)c1F
InChIInChI=1S/C14H22FN3O/c1-3-12-13(15)14(17-9-16-12)18(2)11-6-4-10(8-19)5-7-11/h9-11,19H,3-8H2,1-2H3
InChIKeySSHKZCQBHGDPKC-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.17
Rot. Bonds4

About [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol

[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol (PubChem CID 133419984) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol
PubChem CID133419984
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol
SMILESCCc1ncnc(N(C)C2CCC(CO)CC2)c1F
InChIInChI=1S/C14H22FN3O/c1-3-12-13(15)14(17-9-16-12)18(2)11-6-4-10(8-19)5-7-11/h9-11,19H,3-8H2,1-2H3
InChIKeySSHKZCQBHGDPKC-UHFFFAOYSA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol?
The IUPAC name of [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol (CID 133419984) is [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol is CCc1ncnc(N(C)C2CCC(CO)CC2)c1F.
What is the InChIKey of [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol?
The InChIKey is SSHKZCQBHGDPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-12-13(15)14(17-9-16-12)18(2)11-6-4-10(8-19)5-7-11/h9-11,19H,3-8H2,1-2H3.
What are the key properties of [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol?
[4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol has a molecular weight of 267.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol is sourced from PubChem (CID 133419984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).