4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine

C13H22N4O — CID 80961650

IUPAC4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCN(c1cc(N)nc(C(C)C)n1)C1CC1
InChIInChI=1S/C13H22N4O/c1-9(2)13-15-11(14)8-12(16-13)17(6-7-18-3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyBUCQCUVCHZVCLF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds6

About 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961650) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961650
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCN(c1cc(N)nc(C(C)C)n1)C1CC1
InChIInChI=1S/C13H22N4O/c1-9(2)13-15-11(14)8-12(16-13)17(6-7-18-3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyBUCQCUVCHZVCLF-UHFFFAOYSA-N
XLogP1.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192
4-N-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961551
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80961969
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957937
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961650) is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine is COCCN(c1cc(N)nc(C(C)C)n1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BUCQCUVCHZVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)13-15-11(14)8-12(16-13)17(6-7-18-3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).