4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine

C12H23N5 — CID 80785044

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-10-6-7-14-11(13-3)16-10/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16)
InChIKeyZSWOHWSRIZJWIX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.52
Rot. Bonds6

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80785044) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80785044
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-10-6-7-14-11(13-3)16-10/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16)
InChIKeyZSWOHWSRIZJWIX-UHFFFAOYSA-N
XLogP1.52
TPSA53.08 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine (CID 80785044) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(NCC(C)(C)CN(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZSWOHWSRIZJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-10-6-7-14-11(13-3)16-10/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80785044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).