(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

C14H19N3O3 — CID 99611279

IUPAC(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCCOc1cc(NC[C@@](C)(O)c2ccc(C)o2)ncn1
InChIInChI=1S/C14H19N3O3/c1-4-19-13-7-12(16-9-17-13)15-8-14(3,18)11-6-5-10(2)20-11/h5-7,9,18H,4,8H2,1-3H3,(H,15,16,17)/t14-/m1/s1
InChIKeyALZLVHQXVJMGRL-CQSZACIVSA-N
MW277.32 g/mol
LogP2.10
Rot. Bonds6

About (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 99611279) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID99611279
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCCOc1cc(NC[C@@](C)(O)c2ccc(C)o2)ncn1
InChIInChI=1S/C14H19N3O3/c1-4-19-13-7-12(16-9-17-13)15-8-14(3,18)11-6-5-10(2)20-11/h5-7,9,18H,4,8H2,1-3H3,(H,15,16,17)/t14-/m1/s1
InChIKeyALZLVHQXVJMGRL-CQSZACIVSA-N
XLogP2.10
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 99611279) is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is CCOc1cc(NC[C@@](C)(O)c2ccc(C)o2)ncn1.
What is the InChIKey of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is ALZLVHQXVJMGRL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-19-13-7-12(16-9-17-13)15-8-14(3,18)11-6-5-10(2)20-11/h5-7,9,18H,4,8H2,1-3H3,(H,15,16,17)/t14-/m1/s1.
What are the key properties of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 277.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 99611279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).