1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C10H16ClN3O — CID 79385487

IUPAC1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-4-14(7-10(2,3)15)8-5-6-12-9(11)13-8/h5-6,15H,4,7H2,1-3H3
InChIKeyMCAVQKMDUYPWOP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.73
Rot. Bonds4

About 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79385487) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79385487
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-4-14(7-10(2,3)15)8-5-6-12-9(11)13-8/h5-6,15H,4,7H2,1-3H3
InChIKeyMCAVQKMDUYPWOP-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 79385487) is 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccnc(Cl)n1.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MCAVQKMDUYPWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-14(7-10(2,3)15)8-5-6-12-9(11)13-8/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79385487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).