3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

C11H18ClN3O — CID 62484040

IUPAC3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCc1cc(N(CCCO)C(C)C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-4-6-16)10-7-9(3)13-11(12)14-10/h7-8,16H,4-6H2,1-3H3
InChIKeyDEAKWQFIUUOXSO-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.04
Rot. Bonds5

About 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 62484040) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
PubChem CID62484040
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCc1cc(N(CCCO)C(C)C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(5-4-6-16)10-7-9(3)13-11(12)14-10/h7-8,16H,4-6H2,1-3H3
InChIKeyDEAKWQFIUUOXSO-UHFFFAOYSA-N
XLogP2.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (CID 62484040) is 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is Cc1cc(N(CCCO)C(C)C)nc(Cl)n1.
What is the InChIKey of 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is DEAKWQFIUUOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15(5-4-6-16)10-7-9(3)13-11(12)14-10/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62484040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).