2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C17H28N4O2 — CID 126446462

IUPAC2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCC(C)(C)N2CCOCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-19-15(14-4-7-23-11-14)10-16(20-13)18-12-17(2,3)21-5-8-22-9-6-21/h10,14H,4-9,11-12H2,1-3H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLXRNCOLXMMXWCX-CQSZACIVSA-N
MW320.44 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126446462) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126446462
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc(NCC(C)(C)N2CCOCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-19-15(14-4-7-23-11-14)10-16(20-13)18-12-17(2,3)21-5-8-22-9-6-21/h10,14H,4-9,11-12H2,1-3H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLXRNCOLXMMXWCX-CQSZACIVSA-N
XLogP1.81
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 126446462) is 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is Cc1nc(NCC(C)(C)N2CCOCC2)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is LXRNCOLXMMXWCX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-19-15(14-4-7-23-11-14)10-16(20-13)18-12-17(2,3)21-5-8-22-9-6-21/h10,14H,4-9,11-12H2,1-3H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).