3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

C16H22N4O — CID 72937417

IUPAC3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cnc(N)nc1N(C)CCC(O)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-12-11-18-16(17)19-15(12)20(2)10-9-14(21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyLWSKUVUDSHGHCD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.18
Rot. Bonds6

About 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 72937417) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID72937417
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCCc1cnc(N)nc1N(C)CCC(O)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-12-11-18-16(17)19-15(12)20(2)10-9-14(21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyLWSKUVUDSHGHCD-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (CID 72937417) is 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is CCc1cnc(N)nc1N(C)CCC(O)c1ccccc1.
What is the InChIKey of 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is LWSKUVUDSHGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12-11-18-16(17)19-15(12)20(2)10-9-14(21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 72937417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).