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

C14H24N4O — CID 80961969

IUPAC2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCN(c1cc(N)nc(C(C)(C)C)n1)C1CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15)9-12(17-13)18(7-8-19-4)10-5-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyUIPAJUYHJWIXMK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

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

2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine (PubChem CID 80961969) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
PubChem CID80961969
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCN(c1cc(N)nc(C(C)(C)C)n1)C1CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15)9-12(17-13)18(7-8-19-4)10-5-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyUIPAJUYHJWIXMK-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961650
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
N-cyclopropyl-6-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 80896205
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine (CID 80961969) is 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine is COCCN(c1cc(N)nc(C(C)(C)C)n1)C1CC1.
What is the InChIKey of 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is UIPAJUYHJWIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15)9-12(17-13)18(7-8-19-4)10-5-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 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-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).