N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine

C14H21N5S — CID 3067244

IUPACN,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCN(C)c1ncnc2c1N=C(CN1CCCCC1)CS2
InChIInChI=1S/C14H21N5S/c1-18(2)13-12-14(16-10-15-13)20-9-11(17-12)8-19-6-4-3-5-7-19/h10H,3-9H2,1-2H3
InChIKeyFYSOTODGDZBAAY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.21
Rot. Bonds3

About N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine

N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine (PubChem CID 3067244) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine
PubChem CID3067244
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine
SMILESCN(C)c1ncnc2c1N=C(CN1CCCCC1)CS2
InChIInChI=1S/C14H21N5S/c1-18(2)13-12-14(16-10-15-13)20-9-11(17-12)8-19-6-4-3-5-7-19/h10H,3-9H2,1-2H3
InChIKeyFYSOTODGDZBAAY-UHFFFAOYSA-N
XLogP2.21
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
CID 155692014
N,N-dimethyl-6-(piperidin-1-ylmethyl)-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
CID 21154421
7,7-Dimethylpyrimido[4,5-b][1,4]thiazine-4,6-diamine
CID 130017564
6,7,7-Trimethylpyrimido[4,5-b][1,4]thiazin-4-amine
CID 130017605
4-[cyclohexyl(methyl)amino]-5H-pyrimido[4,5-b][1,4]thiazin-6-one
CID 137854767

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The IUPAC name of N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine (CID 3067244) is N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine is CN(C)c1ncnc2c1N=C(CN1CCCCC1)CS2.
What is the InChIKey of N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine?
The InChIKey is FYSOTODGDZBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-18(2)13-12-14(16-10-15-13)20-9-11(17-12)8-19-6-4-3-5-7-19/h10H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine?
N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine is sourced from PubChem (CID 3067244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).