6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C16H24N6S — CID 56778107

IUPAC6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCc1nc(CNCC2CCCN2c2cc(NC)ncn2)cs1
InChIInChI=1S/C16H24N6S/c1-3-16-21-12(10-23-16)8-18-9-13-5-4-6-22(13)15-7-14(17-2)19-11-20-15/h7,10-11,13,18H,3-6,8-9H2,1-2H3,(H,17,19,20)
InChIKeyHXOVOLBCCZAWCV-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.30
Rot. Bonds7

About 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 56778107) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID56778107
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCc1nc(CNCC2CCCN2c2cc(NC)ncn2)cs1
InChIInChI=1S/C16H24N6S/c1-3-16-21-12(10-23-16)8-18-9-13-5-4-6-22(13)15-7-14(17-2)19-11-20-15/h7,10-11,13,18H,3-6,8-9H2,1-2H3,(H,17,19,20)
InChIKeyHXOVOLBCCZAWCV-UHFFFAOYSA-N
XLogP2.30
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 56778107) is 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CCc1nc(CNCC2CCCN2c2cc(NC)ncn2)cs1.
What is the InChIKey of 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is HXOVOLBCCZAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-3-16-21-12(10-23-16)8-18-9-13-5-4-6-22(13)15-7-14(17-2)19-11-20-15/h7,10-11,13,18H,3-6,8-9H2,1-2H3,(H,17,19,20).
What are the key properties of 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 332.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 56778107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).