N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine

C16H20N4S — CID 80640577

IUPACN-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(Sc2ccc(CNC3CC3)cn2)nc(C)c1C
InChIInChI=1S/C16H20N4S/c1-10-11(2)19-16(20-12(10)3)21-15-7-4-13(9-18-15)8-17-14-5-6-14/h4,7,9,14,17H,5-6,8H2,1-3H3
InChIKeyXDPVMCNHXXVDSY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.20
Rot. Bonds5

About N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80640577) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80640577
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(Sc2ccc(CNC3CC3)cn2)nc(C)c1C
InChIInChI=1S/C16H20N4S/c1-10-11(2)19-16(20-12(10)3)21-15-7-4-13(9-18-15)8-17-14-5-6-14/h4,7,9,14,17H,5-6,8H2,1-3H3
InChIKeyXDPVMCNHXXVDSY-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine
CID 80640323
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160780
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(6-but-2-enoxy-3-pyridinyl)methyl]cyclopropanamine
CID 76938434
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 113388685
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine (CID 80640577) is N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine is Cc1nc(Sc2ccc(CNC3CC3)cn2)nc(C)c1C.
What is the InChIKey of N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XDPVMCNHXXVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-10-11(2)19-16(20-12(10)3)21-15-7-4-13(9-18-15)8-17-14-5-6-14/h4,7,9,14,17H,5-6,8H2,1-3H3.
What are the key properties of N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 300.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80640577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).