3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

C14H25N5O2 — CID 106138430

IUPAC3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2CCCC(O)C2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-9(2)21-14-18-12(15-3)17-13(19-14)16-8-10-5-4-6-11(20)7-10/h9-11,20H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPGEIZMFSAGVXIV-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.66
Rot. Bonds6

About 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138430) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138430
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2CCCC(O)C2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-9(2)21-14-18-12(15-3)17-13(19-14)16-8-10-5-4-6-11(20)7-10/h9-11,20H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPGEIZMFSAGVXIV-UHFFFAOYSA-N
XLogP1.66
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 106138430) is 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CNc1nc(NCC2CCCC(O)C2)nc(OC(C)C)n1.
What is the InChIKey of 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is PGEIZMFSAGVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9(2)21-14-18-12(15-3)17-13(19-14)16-8-10-5-4-6-11(20)7-10/h9-11,20H,4-8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).