N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

C20H32N4S — CID 55832430

IUPACN,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)C2CCN(C(C)C)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H32N4S/c1-13(2)11-16-12-25-20-18(16)19(21-15(5)22-20)23(6)17-7-9-24(10-8-17)14(3)4/h12-14,17H,7-11H2,1-6H3
InChIKeyGPEJPTVSTZNPCG-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.51
Rot. Bonds5

About N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55832430) has the molecular formula C20H32N4S and a molecular weight of 360.57 g/mol. Its IUPAC name is N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID55832430
Molecular FormulaC20H32N4S
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC NameN,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)C2CCN(C(C)C)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H32N4S/c1-13(2)11-16-12-25-20-18(16)19(21-15(5)22-20)23(6)17-7-9-24(10-8-17)14(3)4/h12-14,17H,7-11H2,1-6H3
InChIKeyGPEJPTVSTZNPCG-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 55832430) is N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(N(C)C2CCN(C(C)C)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GPEJPTVSTZNPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4S/c1-13(2)11-16-12-25-20-18(16)19(21-15(5)22-20)23(6)17-7-9-24(10-8-17)14(3)4/h12-14,17H,7-11H2,1-6H3.
What are the key properties of N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55832430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).