N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine

C16H28N4O — CID 83178527

IUPACN,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)CC2CCCCO2)nc1C
InChIInChI=1S/C16H28N4O/c1-4-8-17-10-14-11-18-16(19-13(14)2)20(3)12-15-7-5-6-9-21-15/h11,15,17H,4-10,12H2,1-3H3
InChIKeyRUOZKLSEUNESGA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.29
Rot. Bonds7

About N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine

N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 83178527) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID83178527
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)CC2CCCCO2)nc1C
InChIInChI=1S/C16H28N4O/c1-4-8-17-10-14-11-18-16(19-13(14)2)20(3)12-15-7-5-6-9-21-15/h11,15,17H,4-10,12H2,1-3H3
InChIKeyRUOZKLSEUNESGA-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine (CID 83178527) is N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(C)CC2CCCCO2)nc1C.
What is the InChIKey of N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is RUOZKLSEUNESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-17-10-14-11-18-16(19-13(14)2)20(3)12-15-7-5-6-9-21-15/h11,15,17H,4-10,12H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine?
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 83178527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).