4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine

C7H13N5 — CID 119086317

IUPAC4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CCN)c1ccnc(N)n1
InChIInChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)
InChIKeyYHRLGNNOULBZCH-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.55
Rot. Bonds3

About 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine

4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 119086317) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID119086317
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CCN)c1ccnc(N)n1
InChIInChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)
InChIKeyYHRLGNNOULBZCH-UHFFFAOYSA-N
XLogP-0.55
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine (CID 119086317) is 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine is CN(CCN)c1ccnc(N)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is YHRLGNNOULBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 119086317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).