N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine

C18H33N3 — CID 65293875

IUPACN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3
InChIKeyOPNRHLUXIYWXEC-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.86
Rot. Bonds6

About N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine

N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65293875) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65293875
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3
InChIKeyOPNRHLUXIYWXEC-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65419797
3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 65293453
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 79412388
N-[2-[4,6-diethyl-2-(2-methylpropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79220574
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191080
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 115347195
3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293824
N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65043267
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293872

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65293875) is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is OPNRHLUXIYWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65293875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).