4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine

C13H23N5S — CID 114517029

IUPAC4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5S/c1-18-7-4-10(5-8-18)3-6-15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeySRRYMXGZQVQBCO-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.92
Rot. Bonds5

About 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 114517029) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID114517029
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5S/c1-18-7-4-10(5-8-18)3-6-15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeySRRYMXGZQVQBCO-UHFFFAOYSA-N
XLogP1.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
n4-Isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585781
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815497
2-(Piperidin-1-yl)pyrimidine-4,6-diamine
CID 16653160
N,N-Diisobutyl-2-(3-methyl-butyl)-pyrimidine-4,6-diamine
CID 25130220
4-(4-Methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine
CID 45496281
N-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 80847674
6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 122456434

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 114517029) is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCCC2CCN(C)CC2)n1.
What is the InChIKey of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is SRRYMXGZQVQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-18-7-4-10(5-8-18)3-6-15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 281.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 114517029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).