(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine

C10H17N3O — CID 129409430

IUPAC(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine
SMILESCc1ncc([C@@H](CN)OC(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-7(2)14-10(4-11)9-5-12-8(3)13-6-9/h5-7,10H,4,11H2,1-3H3/t10-/m1/s1
InChIKeyRXHUXDNPKIRRHE-SNVBAGLBSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds4

About (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine

(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine (PubChem CID 129409430) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine
PubChem CID129409430
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine
SMILESCc1ncc([C@@H](CN)OC(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-7(2)14-10(4-11)9-5-12-8(3)13-6-9/h5-7,10H,4,11H2,1-3H3/t10-/m1/s1
InChIKeyRXHUXDNPKIRRHE-SNVBAGLBSA-N
XLogP1.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine (CID 129409430) is (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine is Cc1ncc([C@@H](CN)OC(C)C)cn1.
What is the InChIKey of (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine?
The InChIKey is RXHUXDNPKIRRHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)14-10(4-11)9-5-12-8(3)13-6-9/h5-7,10H,4,11H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine?
(2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine has a molecular weight of 195.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpyrimidin-5-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 129409430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).