2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C15H28N6 — CID 80751148

IUPAC2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)CCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-4-8-12(3)17-14-18-13(16-9-5-2)19-15(20-14)21-10-6-7-11-21/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20)
InChIKeySSZGTMYGEOCJNK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.89
Rot. Bonds8

About 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80751148) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80751148
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)CCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-4-8-12(3)17-14-18-13(16-9-5-2)19-15(20-14)21-10-6-7-11-21/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20)
InChIKeySSZGTMYGEOCJNK-UHFFFAOYSA-N
XLogP2.89
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80776199
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793614
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-N-(2,2-dimethylcyclopropyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80794141
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379

Frequently Asked Questions

What is the IUPAC name of 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80751148) is 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)CCC)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SSZGTMYGEOCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-4-8-12(3)17-14-18-13(16-9-5-2)19-15(20-14)21-10-6-7-11-21/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80751148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).