N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

C14H22N4OS — CID 81074567

IUPACN-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CCOC(C)C)nc2sccc12
InChIInChI=1S/C14H22N4OS/c1-10(2)19-7-6-18(4)9-12-16-13(15-3)11-5-8-20-14(11)17-12/h5,8,10H,6-7,9H2,1-4H3,(H,15,16,17)
InChIKeyMYZKCYDRGMLNCA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 81074567) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID81074567
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CCOC(C)C)nc2sccc12
InChIInChI=1S/C14H22N4OS/c1-10(2)19-7-6-18(4)9-12-16-13(15-3)11-5-8-20-14(11)17-12/h5,8,10H,6-7,9H2,1-4H3,(H,15,16,17)
InChIKeyMYZKCYDRGMLNCA-UHFFFAOYSA-N
XLogP2.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 81074567) is N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN(C)CCOC(C)C)nc2sccc12.
What is the InChIKey of N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYZKCYDRGMLNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10(2)19-7-6-18(4)9-12-16-13(15-3)11-5-8-20-14(11)17-12/h5,8,10H,6-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 294.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81074567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).