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

C12H21N5O2 — CID 80843488

IUPAC1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)Oc1nc(N)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H21N5O2/c1-8(2)19-11-16-9(13)15-10(17-11)14-7-12(18)5-3-4-6-12/h8,18H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyJDZKLDXWNDELTB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.96
Rot. Bonds5

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

1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 80843488) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID80843488
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)Oc1nc(N)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H21N5O2/c1-8(2)19-11-16-9(13)15-10(17-11)14-7-12(18)5-3-4-6-12/h8,18H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyJDZKLDXWNDELTB-UHFFFAOYSA-N
XLogP0.96
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843196
4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81134636
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol
CID 115366569
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855687
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106280510
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (CID 80843488) is 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is CC(C)Oc1nc(N)nc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is JDZKLDXWNDELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)19-11-16-9(13)15-10(17-11)14-7-12(18)5-3-4-6-12/h8,18H,3-7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80843488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).