4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine

C10H20N6 — CID 152699919

IUPAC4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine
SMILESNCCC1(N)C=C(NCC2CC2)NC(N)=N1
InChIInChI=1S/C10H20N6/c11-4-3-10(13)5-8(15-9(12)16-10)14-6-7-1-2-7/h5,7,14H,1-4,6,11,13H2,(H3,12,15,16)
InChIKeyZRIWTEPNZJAPIF-UHFFFAOYSA-N
MW224.31 g/mol
LogP-1.25
Rot. Bonds5

About 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine

4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine (PubChem CID 152699919) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine
PubChem CID152699919
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine
SMILESNCCC1(N)C=C(NCC2CC2)NC(N)=N1
InChIInChI=1S/C10H20N6/c11-4-3-10(13)5-8(15-9(12)16-10)14-6-7-1-2-7/h5,7,14H,1-4,6,11,13H2,(H3,12,15,16)
InChIKeyZRIWTEPNZJAPIF-UHFFFAOYSA-N
XLogP-1.25
TPSA114.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine
CID 152621564
4-Cyclopropyl-2-methylimino-1,3-dihydropyrimidin-4-amine
CID 152779065

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine (CID 152699919) is 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine is NCCC1(N)C=C(NCC2CC2)NC(N)=N1.
What is the InChIKey of 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine?
The InChIKey is ZRIWTEPNZJAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c11-4-3-10(13)5-8(15-9(12)16-10)14-6-7-1-2-7/h5,7,14H,1-4,6,11,13H2,(H3,12,15,16).
What are the key properties of 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine?
4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine has a molecular weight of 224.31 g/mol, XLogP of -1.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 152699919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).