4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine

C14H24N6 — CID 80813186

IUPAC4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCN(C3CC3)C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-2-6-16-12-8-13(19-14(15)18-12)17-10-5-7-20(9-10)11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H4,15,16,17,18,19)
InChIKeyORRHZUYUJZEUJS-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.53
Rot. Bonds6

About 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80813186) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80813186
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCN(C3CC3)C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-2-6-16-12-8-13(19-14(15)18-12)17-10-5-7-20(9-10)11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H4,15,16,17,18,19)
InChIKeyORRHZUYUJZEUJS-UHFFFAOYSA-N
XLogP1.53
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80784794
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
N-(1-cyclopropylpyrrolidin-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174598
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80813186) is 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC2CCN(C3CC3)C2)nc(N)n1.
What is the InChIKey of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is ORRHZUYUJZEUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-2-6-16-12-8-13(19-14(15)18-12)17-10-5-7-20(9-10)11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 276.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80813186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).