2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine

C12H22N4O — CID 80961639

IUPAC2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOCCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-14-9(13)8-10(15-11)16(4)6-7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyDQUOVOVEUIDEAH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds4

About 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80961639) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80961639
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOCCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-14-9(13)8-10(15-11)16(4)6-7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyDQUOVOVEUIDEAH-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80961969
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80956526
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210
2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061412
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine (CID 80961639) is 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine is COCCN(C)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is DQUOVOVEUIDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)11-14-9(13)8-10(15-11)16(4)6-7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.44, 4 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-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).