4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C12H23N5 — CID 106142001

IUPAC4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC(C)(C)CCN)n1
InChIInChI=1S/C12H23N5/c1-12(2,6-7-13)9-15-10-5-8-14-11(16-10)17(3)4/h5,8H,6-7,9,13H2,1-4H3,(H,14,15,16)
InChIKeyPAZGYIAYLNPQAR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.33
Rot. Bonds6

About 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 106142001) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID106142001
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC(C)(C)CCN)n1
InChIInChI=1S/C12H23N5/c1-12(2,6-7-13)9-15-10-5-8-14-11(16-10)17(3)4/h5,8H,6-7,9,13H2,1-4H3,(H,14,15,16)
InChIKeyPAZGYIAYLNPQAR-UHFFFAOYSA-N
XLogP1.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 114149259
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 64830834
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
4-N-(1-chloro-2-methylbutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 65028759
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 79492291

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 106142001) is 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NCC(C)(C)CCN)n1.
What is the InChIKey of 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is PAZGYIAYLNPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,6-7-13)9-15-10-5-8-14-11(16-10)17(3)4/h5,8H,6-7,9,13H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 106142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).