N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine

C16H30N4 — CID 62279544

IUPACN-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(CC)CC(C)C
InChIInChI=1S/C16H30N4/c1-7-17-9-14-15(20(8-2)11-12(3)4)10-18-16(19-14)13(5)6/h10,12-13,17H,7-9,11H2,1-6H3
InChIKeyLJWJSULOUSTJDX-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine

N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62279544) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID62279544
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(CC)CC(C)C
InChIInChI=1S/C16H30N4/c1-7-17-9-14-15(20(8-2)11-12(3)4)10-18-16(19-14)13(5)6/h10,12-13,17H,7-9,11H2,1-6H3
InChIKeyLJWJSULOUSTJDX-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62289744
N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
CID 62294317
N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 79184229
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 63938723
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62280514

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine (CID 62279544) is N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine is CCNCc1nc(C(C)C)ncc1N(CC)CC(C)C.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is LJWJSULOUSTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-17-9-14-15(20(8-2)11-12(3)4)10-18-16(19-14)13(5)6/h10,12-13,17H,7-9,11H2,1-6H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine?
N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62279544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).