N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine

C16H28N4O — CID 50958517

IUPACN,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CC(C)N2CCOCC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(18-14(4)17-15)19(5)11-13(3)20-6-8-21-9-7-20/h10,12-13H,6-9,11H2,1-5H3
InChIKeyZAOVYRDEMHLXPC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.07
Rot. Bonds5

About N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine

N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 50958517) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID50958517
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CC(C)N2CCOCC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(18-14(4)17-15)19(5)11-13(3)20-6-8-21-9-7-20/h10,12-13H,6-9,11H2,1-5H3
InChIKeyZAOVYRDEMHLXPC-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine (CID 50958517) is N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine is Cc1nc(C(C)C)cc(N(C)CC(C)N2CCOCC2)n1.
What is the InChIKey of N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZAOVYRDEMHLXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-10-16(18-14(4)17-15)19(5)11-13(3)20-6-8-21-9-7-20/h10,12-13H,6-9,11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine?
N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50958517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).