N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine

C16H30N4 — CID 62278849

IUPACN-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
SMILESCCCNCc1nc(C(C)C)ncc1N(CC)CCC
InChIInChI=1S/C16H30N4/c1-6-9-17-11-14-15(20(8-3)10-7-2)12-18-16(19-14)13(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyXEMNZLCSQZJGTJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.34
Rot. Bonds9

About N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine

N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine (PubChem CID 62278849) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
PubChem CID62278849
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
SMILESCCCNCc1nc(C(C)C)ncc1N(CC)CCC
InChIInChI=1S/C16H30N4/c1-6-9-17-11-14-15(20(8-3)10-7-2)12-18-16(19-14)13(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyXEMNZLCSQZJGTJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
CID 62279544
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62287352
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
CID 62088140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine (CID 62278849) is N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine is CCCNCc1nc(C(C)C)ncc1N(CC)CCC.
What is the InChIKey of N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine?
The InChIKey is XEMNZLCSQZJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-9-17-11-14-15(20(8-3)10-7-2)12-18-16(19-14)13(4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine?
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine is sourced from PubChem (CID 62278849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).