5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

C11H20N4 — CID 80782943

IUPAC5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NC(C)CC(C)C
InChIInChI=1S/C11H20N4/c1-7(2)5-8(3)15-11-9(4)10(12)13-6-14-11/h6-8H,5H2,1-4H3,(H3,12,13,14,15)
InChIKeyXMDNTOXYEBVVSE-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.21
Rot. Bonds4

About 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80782943) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80782943
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NC(C)CC(C)C
InChIInChI=1S/C11H20N4/c1-7(2)5-8(3)15-11-9(4)10(12)13-6-14-11/h6-8H,5H2,1-4H3,(H3,12,13,14,15)
InChIKeyXMDNTOXYEBVVSE-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83180449
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (CID 80782943) is 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1NC(C)CC(C)C.
What is the InChIKey of 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is XMDNTOXYEBVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)5-8(3)15-11-9(4)10(12)13-6-14-11/h6-8H,5H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80782943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).