5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 106332041

IUPAC5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)(CC)Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H26N4/c1-7-14(6,8-2)18-13-10(5)11(15)16-12(17-13)9(3)4/h9H,7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyLCNDJIOPUWWZEN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.48
Rot. Bonds5

About 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 106332041) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID106332041
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)(CC)Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H26N4/c1-7-14(6,8-2)18-13-10(5)11(15)16-12(17-13)9(3)4/h9H,7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyLCNDJIOPUWWZEN-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 106332041) is 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CCC(C)(CC)Nc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LCNDJIOPUWWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-14(6,8-2)18-13-10(5)11(15)16-12(17-13)9(3)4/h9H,7-8H2,1-6H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106332041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).