4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine

C10H18N4O — CID 80858428

IUPAC4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
SMILESCNc1cc(OCCC(C)C)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-7(2)4-5-15-9-6-8(12-3)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyZGKGSPDVROGMEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds5

About 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine

4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine (PubChem CID 80858428) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
PubChem CID80858428
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
SMILESCNc1cc(OCCC(C)C)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-7(2)4-5-15-9-6-8(12-3)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyZGKGSPDVROGMEK-UHFFFAOYSA-N
XLogP1.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 46705525
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80871216
6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80878392
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
N-methyl-6-(3-methylbutoxy)pyridin-2-amine
CID 80859136
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
6-but-3-yn-2-yloxy-4-N-methylpyrimidine-2,4-diamine
CID 106795434
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947494
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine (CID 80858428) is 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine is CNc1cc(OCCC(C)C)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine?
The InChIKey is ZGKGSPDVROGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)4-5-15-9-6-8(12-3)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine?
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80858428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).