4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine

C10H20N6 — CID 69056175

IUPAC4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
SMILESNC1=CC(N)(CCN2CCCC2)N=C(N)N1
InChIInChI=1S/C10H20N6/c11-8-7-10(13,15-9(12)14-8)3-6-16-4-1-2-5-16/h7H,1-6,11,13H2,(H3,12,14,15)
InChIKeySIWUFUNGRPUWQG-UHFFFAOYSA-N
MW224.31 g/mol
LogP-1.15
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine

4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine (PubChem CID 69056175) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
PubChem CID69056175
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
SMILESNC1=CC(N)(CCN2CCCC2)N=C(N)N1
InChIInChI=1S/C10H20N6/c11-8-7-10(13,15-9(12)14-8)3-6-16-4-1-2-5-16/h7H,1-6,11,13H2,(H3,12,14,15)
InChIKeySIWUFUNGRPUWQG-UHFFFAOYSA-N
XLogP-1.15
TPSA105.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine (CID 69056175) is 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine is NC1=CC(N)(CCN2CCCC2)N=C(N)N1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine?
The InChIKey is SIWUFUNGRPUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c11-8-7-10(13,15-9(12)14-8)3-6-16-4-1-2-5-16/h7H,1-6,11,13H2,(H3,12,14,15).
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine?
4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine has a molecular weight of 224.31 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 69056175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).