5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C17H28N4O2 — CID 99949653

IUPAC5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-21(15-5-8-22-9-6-15)13-14-10-18-17(19-11-14)20-12-16-4-3-7-23-16/h10-11,15-16H,2-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyGYXNGFJYGRXGGZ-MRXNPFEDSA-N
MW320.44 g/mol
LogP2.07
Rot. Bonds7

About 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99949653) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99949653
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-21(15-5-8-22-9-6-15)13-14-10-18-17(19-11-14)20-12-16-4-3-7-23-16/h10-11,15-16H,2-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyGYXNGFJYGRXGGZ-MRXNPFEDSA-N
XLogP2.07
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99949653) is 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CCN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1CCOCC1.
What is the InChIKey of 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is GYXNGFJYGRXGGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-21(15-5-8-22-9-6-15)13-14-10-18-17(19-11-14)20-12-16-4-3-7-23-16/h10-11,15-16H,2-9,12-13H2,1H3,(H,18,19,20)/t16-/m1/s1.
What are the key properties of 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99949653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).