5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine

C9H17N5 — CID 66904290

IUPAC5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(CCN(C)C)c(N)n1
InChIInChI=1S/C9H17N5/c1-11-9-12-6-7(8(10)13-9)4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyVASRGUUPUJKGCX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.20
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine

5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 66904290) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID66904290
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(CCN(C)C)c(N)n1
InChIInChI=1S/C9H17N5/c1-11-9-12-6-7(8(10)13-9)4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyVASRGUUPUJKGCX-UHFFFAOYSA-N
XLogP0.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 66904290) is 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(CCN(C)C)c(N)n1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VASRGUUPUJKGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-11-9-12-6-7(8(10)13-9)4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine?
5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 66904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).