4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine

C10H17ClN6 — CID 81470010

IUPAC4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(Cl)n2)CC1N(C)C
InChIInChI=1S/C10H17ClN6/c1-6-4-17(5-7(6)16(2)3)10-14-8(11)13-9(12)15-10/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVAJPDQWFTQIDNC-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.49
Rot. Bonds2

About 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 81470010) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID81470010
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(Cl)n2)CC1N(C)C
InChIInChI=1S/C10H17ClN6/c1-6-4-17(5-7(6)16(2)3)10-14-8(11)13-9(12)15-10/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVAJPDQWFTQIDNC-UHFFFAOYSA-N
XLogP0.49
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 81470010) is 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine is CC1CN(c2nc(N)nc(Cl)n2)CC1N(C)C.
What is the InChIKey of 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is VAJPDQWFTQIDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6/c1-6-4-17(5-7(6)16(2)3)10-14-8(11)13-9(12)15-10/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 81470010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).