(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol

C14H25N3O2 — CID 79248758

IUPAC(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)11(8-18)16-12-7-6-10(15)13(17-12)19-14(3,4)5/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17)/t11-/m1/s1
InChIKeyKGJOIGDHBZALLY-LLVKDONJSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol

(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 79248758) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID79248758
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)11(8-18)16-12-7-6-10(15)13(17-12)19-14(3,4)5/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17)/t11-/m1/s1
InChIKeyKGJOIGDHBZALLY-LLVKDONJSA-N
XLogP2.27
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 79248758) is (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is KGJOIGDHBZALLY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)11(8-18)16-12-7-6-10(15)13(17-12)19-14(3,4)5/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79248758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).