4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

C13H24N4 — CID 80967666

IUPAC4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC(C)C)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-17(8-9(2)3)12-7-11(14)15-13(16-12)10(4)5/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16)
InChIKeyFMLXKBNXJRPFSA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.66
Rot. Bonds5

About 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967666) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967666
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC(C)C)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-17(8-9(2)3)12-7-11(14)15-13(16-12)10(4)5/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16)
InChIKeyFMLXKBNXJRPFSA-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80956167
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
4-N-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80776167
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957937
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80934593
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967666) is 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCN(CC(C)C)c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is FMLXKBNXJRPFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-17(8-9(2)3)12-7-11(14)15-13(16-12)10(4)5/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16).
What are the key properties of 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).