2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C15H29N5 — CID 80957496

IUPAC2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCCN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C15H29N5/c1-15(2,3)14-17-12(16-4)11-13(18-14)20(7)10-8-9-19(5)6/h11H,8-10H2,1-7H3,(H,16,17,18)
InChIKeyRFFWVECJTBJKSO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.20
Rot. Bonds6

About 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80957496) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80957496
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCCN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C15H29N5/c1-15(2,3)14-17-12(16-4)11-13(18-14)20(7)10-8-9-19(5)6/h11H,8-10H2,1-7H3,(H,16,17,18)
InChIKeyRFFWVECJTBJKSO-UHFFFAOYSA-N
XLogP2.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106775714
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80960657
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80960654
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80962137

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80957496) is 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)CCCN(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is RFFWVECJTBJKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-15(2,3)14-17-12(16-4)11-13(18-14)20(7)10-8-9-19(5)6/h11H,8-10H2,1-7H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).