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

C10H16N4S — CID 83871808

IUPACN,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCSc1nc2c(c(N(C)C)n1)CCNC2
InChIInChI=1S/C10H16N4S/c1-14(2)9-7-4-5-11-6-8(7)12-10(13-9)15-3/h11H,4-6H2,1-3H3
InChIKeyDUSUCMTZMFASRB-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.91
Rot. Bonds2

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

N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 83871808) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID83871808
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCSc1nc2c(c(N(C)C)n1)CCNC2
InChIInChI=1S/C10H16N4S/c1-14(2)9-7-4-5-11-6-8(7)12-10(13-9)15-3/h11H,4-6H2,1-3H3
InChIKeyDUSUCMTZMFASRB-UHFFFAOYSA-N
XLogP0.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 83863125
2-ethyl-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105459654
N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102022
N-(4-chlorophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101803
4-(2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 155124616
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821
N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 114742042
N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105495360
4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
CID 83871820
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
CID 117101498

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 83871808) is N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CSc1nc2c(c(N(C)C)n1)CCNC2.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DUSUCMTZMFASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-14(2)9-7-4-5-11-6-8(7)12-10(13-9)15-3/h11H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 224.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83871808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).