N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C12H20N4S — CID 117102022

IUPACN,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(SC)nc2c1CNCC2
InChIInChI=1S/C12H20N4S/c1-4-16(5-2)11-9-8-13-7-6-10(9)14-12(15-11)17-3/h13H,4-8H2,1-3H3
InChIKeyYXEGBGLHVIGJDE-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.69
Rot. Bonds4

About N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 117102022) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID117102022
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(SC)nc2c1CNCC2
InChIInChI=1S/C12H20N4S/c1-4-16(5-2)11-9-8-13-7-6-10(9)14-12(15-11)17-3/h13H,4-8H2,1-3H3
InChIKeyYXEGBGLHVIGJDE-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 83871808
N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105495360
N,N-diethyl-2-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102263
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
CID 103102717
ethyl 2-(diethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738064
2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 20689236
N-(cyclopropylmethyl)-2-methylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102330
N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 105498037
4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738526
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 117102022) is N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CCN(CC)c1nc(SC)nc2c1CNCC2.
What is the InChIKey of N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is YXEGBGLHVIGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-16(5-2)11-9-8-13-7-6-10(9)14-12(15-11)17-3/h13H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 117102022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).